| SpectraBase Spectrum ID |
2RTK9DNMW7v |
| Name |
[N-Propanoyl-4-methyl-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 |
231.125928789 u |
| Formula |
C14H17NO2 |
| InChI |
InChI=1S/C14H17NO2/c1-4-10-15(13(16)5-2)14(17)12-8-6-11(3)7-9-12/h4,6-9H,1,5,10H2,2-3H3 |
| InChIKey |
GJEYMNZCBNBKAJ-UHFFFAOYSA-N |
| Molecular Weight |
231.295 g/mol |
| SMILES |
C(N(C(=O)CC)CC=C)(C=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858618 |