| SpectraBase Spectrum ID |
GiwMyZvMwQA |
| Name |
(Z)-2-Benzylidene-N-butyl-3-oxo-butanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.141578854 u |
| Formula |
C15H19NO2 |
| InChI |
InChI=1S/C15H19NO2/c1-3-4-10-16-15(18)14(12(2)17)11-13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)/b14-11- |
| InChIKey |
RRGXDXGHAIFEQM-KAMYIIQDSA-N |
| Molecular Weight |
245.322 g/mol |
| SMILES |
C(\C(=C/C1=CC=CC=C1)C(=O)C)(=O)NCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967512 |
