| SpectraBase Spectrum ID |
EmoHV6HZbtD |
| Name |
Glyoxylic acid, phenyl-, 2'-cyanophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.058243151 u |
| Formula |
C15H9NO3 |
| InChI |
InChI=1S/C15H9NO3/c16-10-12-8-4-5-9-13(12)19-15(18)14(17)11-6-2-1-3-7-11/h1-9H |
| InChIKey |
NLXVCLXTEDDYIL-UHFFFAOYSA-N |
| Molecular Weight |
251.241 g/mol |
| SMILES |
C1=CC(C(C(=O)OC2=CC=CC=C2C#N)=O)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91078 |
