| SpectraBase Spectrum ID |
F5op5ZwwLNL |
| Name |
(E)-N-Phenyl-N-propionyl-1-amino-2-butene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
203.131014170 u |
| Formula |
C13H17NO |
| InChI |
InChI=1S/C13H17NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h3,5-10H,4,11H2,1-2H3/b5-3+ |
| InChIKey |
ZNXVSRBDBOJUMA-HWKANZROSA-N |
| Molecular Weight |
203.285 g/mol |
| SMILES |
C(N(C=1C=CC=CC1)C\C=C\C)(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899 |
