SpectraBase Spectrum ID |
DyRYdq3miAR |
Name |
Benzamide, 3-methyl-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)12-14-22(15-13-19-9-5-4-6-10-19)21(23)20-11-7-8-18(3)16-20/h4-11,16-17H,12-15H2,1-3H3 |
InChIKey |
IRTYDVQBNYLFCF-UHFFFAOYSA-N |
Molecular Weight |
309.453 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC=C(C)C1)CCC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922715 |