CAS No.: 441-38-3 — Cupron (α-安息香肟)

1. Primary Information

English name:	Cupron
CAS No.:	441-38-3
Molecular formula:	C₁₄H₁₃NO₂
Molecular weight:	227.26 g/mol
SMILES:	C1=CC=C(C=C1)C(C(=NO)C2=CC=CC=C2)O
Structural class:
Other identifiers:	alpha-benzoin oxime alpha-BO cpd

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	120	2-8℃	in stock	-
Kehua Intelligence	5g	AR,≥98%((HPLC))	19	2-8℃	in stock	-
Kehua Intelligence	25g	AR,≥98%((HPLC))	51	2-8℃	in stock	-
Kehua Intelligence	100g	AR,≥98%((HPLC))	147	2-8℃	in stock	-
Kehua Intelligence	500g	AR,≥98%((HPLC))	448	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 1 0 0 0 0 0999 V2000 0.7928 1.8623 -1.6686 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3475 1.6491 2.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2722 1.6166 1.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5936 0.6257 -0.9994 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8863 0.0215 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4673 0.8310 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7283 0.1145 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8908 0.8624 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 -1.3533 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8609 -1.1514 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 0.6932 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 0.3075 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -1.9082 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2385 -1.0777 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 -1.8387 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0153 0.0058 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 -1.2602 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1801 -0.0569 -1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7796 1.9424 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 -2.0076 -0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 -1.6119 1.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7133 1.6789 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8776 0.9538 0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 -2.9869 0.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 2.1010 -2.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1629 -1.5099 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 -2.8242 0.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 0.4562 -1.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0894 -1.7953 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 2.2632 2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 19 1 0 0 0 0 9 13 2 0 0 0 0 9 20 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2E)-2-hydroxyimino-1,2-diphenylethanol

4.2 InChI

InChI=1S/C14H13NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,14,16-17H/b15-13+

4.3 InChIKey

WAKHLWOJMHVUJC-FYWRMAATSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)C(C(=NO)C2=CC=CC=C2)O

4.5 Isomeric SMILES

C1=CC=C(C=C1)C(/C(=N/O)/C2=CC=CC=C2)O

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)