SpectraBase Spectrum ID |
7583n5ddUNH |
Name |
Benzamide, N-(2-butyl)-N-hexyl- |
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/c1-4-6-7-11-14-18(15(3)5-2)17(19)16-12-9-8-10-13-16/h8-10,12-13,15H,4-7,11,14H2,1-3H3 |
InChIKey |
QGMXKCFYWAGUIW-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C(N(CCCCCC)C(CC)C)(=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909202 |