SpectraBase Spectrum ID |
Jd1up3uZooK |
Name |
[N-Propanoyl-N-(prop-2'-enyl)]benzamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
217.110278725 u |
Formula |
C13H15NO2 |
InChI |
InChI=1S/C13H15NO2/c1-3-10-14(12(15)4-2)13(16)11-8-6-5-7-9-11/h3,5-9H,1,4,10H2,2H3 |
InChIKey |
PBWMPVAKHXTORQ-UHFFFAOYSA-N |
Molecular Weight |
217.268 g/mol |
SMILES |
C(N(C(=O)CC)CC=C)(=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855527 |