SpectraBase Spectrum ID |
EWf3rQF8gM2 |
Name |
Benzamide, 3-methyl-N-(2-pentyl)-N-butyl- |
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/c1-5-7-12-18(15(4)9-6-2)17(19)16-11-8-10-14(3)13-16/h8,10-11,13,15H,5-7,9,12H2,1-4H3 |
InChIKey |
AQOHWVWOHNAWAN-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C(N(CCCC)C(CCC)C)(=O)C=1C=C(C=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959315 |