| SpectraBase Spectrum ID |
B3gwBR0x1EG |
| Name |
Benzoic acid, 2-(2,2-dicyanoethyl)-, methyl ester |
| CAS Registry Number |
78220-42-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10N2O2 |
| InChI |
InChI=1S/C12H10N2O2/c1-16-12(15)11-5-3-2-4-10(11)6-9(7-13)8-14/h2-5,9H,6H2,1H3 |
| InChIKey |
WTBOWCHFMXTNPR-UHFFFAOYSA-N |
| Molecular Weight |
214.224 g/mol |
| SMILES |
C(c1c(CC(C#N)C#N)cccc1)(=O)OC |
| SPLASH |
splash10-001l-5900000000-8724455139b6c5abedab |
| Source of Spectrum |
SB-34-728-0 |
| Synonyms |
2-(Methoxycarbonyl)-.alpha.-cyano-dihydrocinnamyl-nitrile
methyl 2-(2,2-dicyanoethyl)benzoate
Methyl[o-(2,2-dicyano)-ethyl]benzoate |
| Wiley ID |
1213499 |
