| SpectraBase Spectrum ID |
DAGMaJD49LY |
| Name |
(Cyanodiphenylmethyl)diphenylacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.157228918 u |
| Formula |
C28H21NO2 |
| InChI |
InChI=1S/C28H21NO2/c29-21-27(22-13-5-1-6-14-22,23-15-7-2-8-16-23)28(26(30)31,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,(H,30,31) |
| InChIKey |
XUVGAKWCCCMCAA-UHFFFAOYSA-N |
| Molecular Weight |
403.481 g/mol |
| SMILES |
C1=C(C=CC=C1)C(C(C1=CC=CC=C1)(C1=CC=CC=C1)C(O)=O)(C1=CC=CC=C1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939698 |
