CAS No.: 34052-90-9 — 1,3-Bis(4,5-dihydro-2-oxazolyl)benzene (1,3-二(4,5-二氢-2-噁唑)苯)

1. Primary Information

English name:	1,3-Bis(4,5-dihydro-2-oxazolyl)benzene
CAS No.:	34052-90-9
Molecular formula:	C₁₂H₁₂N₂O₂
Molecular weight:	216.24 g/mol
SMILES:	C1COC(=N1)C2=CC(=CC=C2)C3=NCCO3
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	HPLC≥98%	160	RT	in stock	-
Kehua Intelligence	25g	95%	48	RT	in stock	-
Kehua Intelligence	100g	95%	128	RT	in stock	-
Kehua Intelligence	500g	95%	432	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 30 0 0 0 0 0 0 0999 V2000 3.5856 -0.5093 -0.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5856 -0.5093 0.0338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6197 1.5629 -0.0291 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6197 1.5630 0.0289 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2079 -0.4597 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 -0.4596 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4814 0.2748 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4814 0.2748 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.2377 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6628 0.3916 0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6629 0.3915 -0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 1.7513 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0717 1.7512 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -1.8546 -0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 -1.8545 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.3249 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4928 0.1503 -0.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 0.3040 1.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4928 0.1503 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 0.3037 -1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 2.5032 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3310 2.0890 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4249 2.5031 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3308 2.0890 1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -2.4306 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1289 -2.4305 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.6380 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 7 2 0 0 0 0 3 12 1 0 0 0 0 4 8 2 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 15 2 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole

4.2 InChI

InChI=1S/C12H12N2O2/c1-2-9(11-13-4-6-15-11)8-10(3-1)12-14-5-7-16-12/h1-3,8H,4-7H2

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)