SpectraBase Spectrum ID |
EjNWXVgEMN2 |
Name |
Benzamide, 4-propyl-N-(3-methylbutyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.177964364 u |
Formula |
C15H23NO |
InChI |
InChI=1S/C15H23NO/c1-4-5-13-6-8-14(9-7-13)15(17)16-11-10-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,16,17) |
InChIKey |
NOBGWFOJVJGFNQ-UHFFFAOYSA-N |
Molecular Weight |
233.355 g/mol |
SMILES |
C(NCCC(C)C)(=O)C1=CC=C(CCC)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878821 |