| SpectraBase Spectrum ID |
p5WgLWT0rA |
| Name |
2-(2-Benzoyl-5-chloro-phenyl)acetonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.045091645 u |
| Formula |
C15H10ClNO |
| InChI |
InChI=1S/C15H10ClNO/c16-13-6-7-14(12(10-13)8-9-17)15(18)11-4-2-1-3-5-11/h1-7,10H,8H2 |
| InChIKey |
PMHKLSOTPXNGQI-UHFFFAOYSA-N |
| Molecular Weight |
255.704 g/mol |
| SMILES |
C=1(C(=O)C2=CC=CC=C2)C(=CC(=CC1)Cl)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931611 |
