| SpectraBase Spectrum ID |
8aIAiJXJUPI |
| Name |
o-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(16-14-19-10-5-4-6-11-19)21(23)20-12-8-7-9-18(20)3/h4-12,17H,13-16H2,1-3H3 |
| InChIKey |
SYNQVZLAHNNPLE-UHFFFAOYSA-N |
| Molecular Weight |
309.453 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(N(CCC(C)C)CCC1=CC=CC=C1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874168 |
