| SpectraBase Spectrum ID |
1FjcQifwxSt |
| Name |
2-Benzamidobenzoic acid cyanomethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.084792251 u |
| Formula |
C16H12N2O3 |
| InChI |
InChI=1S/C16H12N2O3/c17-10-11-21-16(20)13-8-4-5-9-14(13)18-15(19)12-6-2-1-3-7-12/h1-9H,11H2,(H,18,19) |
| InChIKey |
CUBJPNUVCPVDBG-UHFFFAOYSA-N |
| SMILES |
C=1(C(NC(=O)C2=CC=CC=C2)=CC=CC1)C(=O)OCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9489 |
