| SpectraBase Spectrum ID |
9bfvMnZFiJB |
| Name |
4-Methyl-N-[2-[(1E)-1-propenyl]phenyl]benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.131014170 u |
| Formula |
C17H17NO |
| InChI |
InChI=1S/C17H17NO/c1-3-6-14-7-4-5-8-16(14)18-17(19)15-11-9-13(2)10-12-15/h3-12H,1-2H3,(H,18,19)/b6-3+ |
| InChIKey |
OAYYBQGTMOGEDL-ZZXKWVIFSA-N |
| Molecular Weight |
251.329 g/mol |
| SMILES |
C(NC1=C(C=CC=C1)\C=C\C)(C1=CC=C(C)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951176 |