| SpectraBase Spectrum ID |
5SddByQE68W |
| Name |
p-Toluylamide, N-(2-phenylethyl)-N-(3-methylbutyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.209264492 u |
| Formula |
C21H27NO |
| InChI |
InChI=1S/C21H27NO/c1-17(2)13-15-22(16-14-19-7-5-4-6-8-19)21(23)20-11-9-18(3)10-12-20/h4-12,17H,13-16H2,1-3H3 |
| InChIKey |
DQGPQPJRQHXZQC-UHFFFAOYSA-N |
| Molecular Weight |
309.453 g/mol |
| SMILES |
C1=C(C=CC(=C1)C)C(N(CCC(C)C)CCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86051 |
