SpectraBase Spectrum ID |
CquNowUMzlz |
Name |
Benzamide, 3-methyl-N-(2-pentyl)-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
275.224914557 u |
Formula |
C18H29NO |
InChI |
InChI=1S/C18H29NO/c1-5-7-8-13-19(16(4)10-6-2)18(20)17-12-9-11-15(3)14-17/h9,11-12,14,16H,5-8,10,13H2,1-4H3 |
InChIKey |
ABOASODVZBLJRT-UHFFFAOYSA-N |
SMILES |
C(N(CCCCC)C(CCC)C)(=O)C=1C=C(C=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963294 |