| SpectraBase Spectrum ID |
KKJBPRoRqyq |
| Name |
1H-Pyrrole-1-propanoic acid, .alpha.-cyano-.beta.-phenyl-, ethyl ester |
| Alternate Name(s) |
ethyl 2-cyano-3-phenyl-3-(1H-pyrrol-1-yl)propanoate
Ethyl ester of 2-cyano-3-phenyl-3-(1-pyrrolyl)propionic acid |
| CAS Registry Number |
75391-13-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16N2O2 |
| InChI |
InChI=1S/C16H16N2O2/c1-2-20-16(19)14(12-17)15(18-10-6-7-11-18)13-8-4-3-5-9-13/h3-11,14-15H,2H2,1H3 |
| InChIKey |
VPEDOLMKHDQHJM-UHFFFAOYSA-N |
| Molecular Weight |
268.316 g/mol |
| SMILES |
C(C([n]1cccc1)c1ccccc1)(C(=O)OCC)C#N |
| SPLASH |
splash10-0a4i-0920000000-1d42e14625402241a539 |
| Source of Spectrum |
K-115-719-0 |
| Wiley ID |
1272341 |
