SpectraBase Spectrum ID |
SjyhZxoNH7 |
Name |
N-[2'-Chloro-(1,1'-biphenyl)-3-yl]acetamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.060741709 u |
Formula |
C14H12ClNO |
InChI |
InChI=1S/C14H12ClNO/c1-10(17)16-12-6-4-5-11(9-12)13-7-2-3-8-14(13)15/h2-9H,1H3,(H,16,17) |
InChIKey |
DQXGNSQTCLROBV-UHFFFAOYSA-N |
Molecular Weight |
245.709 g/mol |
SMILES |
C(C)(=O)NC1=CC(=CC=C1)C1=C(C=CC=C1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918256 |