| SpectraBase Spectrum ID |
7wWVyePlDJP |
| Name |
2-Benzylaniline, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.115364106 u |
| Formula |
C15H15NO |
| InChI |
InChI=1S/C15H15NO/c1-12(17)16-15-10-6-5-9-14(15)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,16,17) |
| InChIKey |
HNFCNZOTOZTWED-UHFFFAOYSA-N |
| Molecular Weight |
225.291 g/mol |
| SMILES |
C1(NC(C)=O)=C(C=CC=C1)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909533 |