| SpectraBase Spectrum ID |
8U59qPbzEv |
| Name |
Butanamide, 4-chloro-N-(2'-benzoylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.086956457 u |
| Formula |
C17H16ClNO2 |
| InChI |
InChI=1S/C17H16ClNO2/c18-12-6-11-16(20)19-15-10-5-4-9-14(15)17(21)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12H2,(H,19,20) |
| InChIKey |
NBHYKLRJVPLFFC-UHFFFAOYSA-N |
| SMILES |
C1=CC=C(C(=C1)NC(=O)CCCCl)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970887 |