| SpectraBase Spectrum ID |
9PCOUJOxNZa |
| Name |
2-cyano-3-phenyl-butyric acid ethyl ester |
| Alternate Name(s) |
2-cyano-3-phenylbutanoic acid ethyl ester
ethyl 2-cyano-3-phenyl-butanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H15NO2 |
| InChI |
InChI=1S/C13H15NO2/c1-3-16-13(15)12(9-14)10(2)11-7-5-4-6-8-11/h4-8,10,12H,3H2,1-2H3 |
| InChIKey |
BJRWXOBQPPXLRP-UHFFFAOYSA-N |
| Molecular Weight |
217.268 g/mol |
| SMILES |
C(C(=O)OCC)(C#N)C(c1ccccc1)C |
| SPLASH |
splash10-0a4i-0900000000-04f7b7669e188f315a8e |
| Source of Spectrum |
U1-1999-2332-1 |
| Wiley ID |
753766 |
