SpectraBase Spectrum ID |
733Hu4M1HAg |
Name |
Propanamide, N-(4-methoxyphenyl)-3-chloro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
213.055656328 u |
Formula |
C10H12ClNO2 |
InChI |
InChI=1S/C10H12ClNO2/c1-14-9-4-2-8(3-5-9)12-10(13)6-7-11/h2-5H,6-7H2,1H3,(H,12,13) |
InChIKey |
ZVNNQFDBJXKWOE-UHFFFAOYSA-N |
Molecular Weight |
213.664 g/mol |
SMILES |
COC1=CC=C(NC(CCCl)=O)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940755 |