SpectraBase Spectrum ID |
IAqMhcQKNz4 |
Name |
Benzamide, 3-methyl-N-butyl-N-(3-methylbutyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.209264492 u |
Formula |
C17H27NO |
InChI |
InChI=1S/C17H27NO/c1-5-6-11-18(12-10-14(2)3)17(19)16-9-7-8-15(4)13-16/h7-9,13-14H,5-6,10-12H2,1-4H3 |
InChIKey |
BAKOAPVHGZNEJG-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C1=CC=C(C=C1C)C(N(CCC(C)C)CCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945583 |