CAS No.: 87130-20-9 — Diethofencarb (乙霉威)

1. Primary Information

English name:	Diethofencarb
CAS No.:	87130-20-9
Molecular formula:	C₁₄H₂₁NO₄
Molecular weight:	267.32 g/mol
SMILES:	CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC
Structural class:
Other identifiers:	diethofencarb isopropyl-3,4-diethoxycarbanilate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	96	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	-20℃	in stock	-
Kehua Intelligence	100mg	99%	1920	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 40 40 0 0 0 0 0 0 0999 V2000 4.0088 -0.5216 0.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2196 1.4760 0.7734 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7214 -0.8187 0.3191 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4948 1.1532 0.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -1.0484 0.1984 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -0.9870 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6065 0.2865 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 0.3917 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 -0.8650 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2133 0.2254 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -2.1385 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7206 -2.0775 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 0.9033 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3498 -0.3103 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 -0.0218 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9579 2.5470 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4072 -1.1968 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1731 3.4474 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 -0.4449 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0789 1.2311 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 1.1461 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1578 -3.0904 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 -2.9844 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -1.9636 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 1.5171 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6825 1.5183 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3742 0.0703 -2.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 0.3629 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6158 -0.6829 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3161 -1.1819 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7379 2.1685 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0932 3.1141 0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5973 -2.2752 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 -0.9637 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0019 4.2890 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0490 2.8885 -0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4164 3.8372 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2781 -0.7205 -1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3359 -0.6580 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5433 0.6358 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 16 1 0 0 0 0 3 9 1 0 0 0 0 3 17 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 15 1 0 0 0 0 5 24 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 9 12 1 0 0 0 0 10 21 1 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

propan-2-yl N-(3,4-diethoxyphenyl)carbamate

4.2 InChI

InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)