CAS No.: 3766-81-2 — Fenobucarb (丙酮中仲丁威)

1. Primary Information

English name:	Fenobucarb
CAS No.:	3766-81-2
Molecular formula:	C₁₂H₁₇NO₂
Molecular weight:	207.27 g/mol
SMILES:	CCC(C)C1=CC=CC=C1OC(=O)NC
Structural class:
Other identifiers:	2-(1-methylpropyl)phenyl methylcarbamate BPMC Fenobucarb o-sec-butylphenyl N-methylcarbamate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetone	38	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	166	-20℃，避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 32 0 1 0 0 0 0 0999 V2000 1.0556 0.1935 -0.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 0.7292 1.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 -0.3055 -0.5584 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7775 -1.5281 0.4274 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8175 -2.4534 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -0.0532 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 -1.8200 1.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 0.7194 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 -2.3424 -1.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2413 0.4769 0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 2.0724 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5075 1.8297 0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5783 2.6275 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1227 0.2479 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 -0.3938 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.8070 0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -2.2582 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5854 -3.4939 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6466 -1.6717 2.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -2.8583 2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0522 -1.1729 2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 -3.0756 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 -1.3504 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 -2.5382 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9776 -0.1257 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3358 2.7000 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 2.2622 0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7856 3.6808 -0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2131 -0.6721 -1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 -1.4481 0.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4519 0.0369 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2752 0.1422 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2-butan-2-ylphenyl) N-methylcarbamate

4.2 InChI

InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)

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)