| SpectraBase Spectrum ID |
4w18vbK7tEn |
| Name |
Propionic acid, 3-cyano-3,3-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.094628661 u |
| Formula |
C16H13NO2 |
| InChI |
InChI=1S/C16H13NO2/c17-12-16(11-15(18)19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11H2,(H,18,19) |
| InChIKey |
GOPLEFHQZLVFTB-UHFFFAOYSA-N |
| Molecular Weight |
251.285 g/mol |
| SMILES |
C1=CC=CC(=C1)C(C#N)(CC(O)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964351 |
