SpectraBase Spectrum ID |
34X7N1yjM36 |
Name |
Propanamide, 2-chloro-N-(4-ethoxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
227.071306393 u |
Formula |
C11H14ClNO2 |
InChI |
InChI=1S/C11H14ClNO2/c1-3-15-10-6-4-9(5-7-10)13-11(14)8(2)12/h4-8H,3H2,1-2H3,(H,13,14) |
InChIKey |
BNFQDXYVKPGSKR-UHFFFAOYSA-N |
Molecular Weight |
227.691 g/mol |
SMILES |
C(C(C)Cl)(=O)NC1=CC=C(C=C1)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896307 |