| SpectraBase Spectrum ID |
I5HWTbyLULj |
| Name |
Phenyl-2-cyan-2,2-diphenylacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.110278725 u |
| Formula |
C21H15NO2 |
| InChI |
InChI=1S/C21H15NO2/c22-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)20(23)24-19-14-8-3-9-15-19/h1-15H |
| InChIKey |
UCIFRIDQKWGWGO-UHFFFAOYSA-N |
| Molecular Weight |
313.356 g/mol |
| SMILES |
C(#N)C(C(OC1=CC=CC=C1)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868359 |
