SpectraBase Spectrum ID |
JV55kX6l9cG |
Name |
Propanamide, N-ethyl-N-(3-methylphenyl)-2-chloro- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.092041838 u |
Formula |
C12H16ClNO |
InChI |
InChI=1S/C12H16ClNO/c1-4-14(12(15)10(3)13)11-7-5-6-9(2)8-11/h5-8,10H,4H2,1-3H3 |
InChIKey |
UQTVJWBAWLRDEE-UHFFFAOYSA-N |
Molecular Weight |
225.719 g/mol |
SMILES |
C(C(=O)N(CC)C=1C=CC=C(C)C1)(Cl)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922043 |