SpectraBase Spectrum ID |
HK3Ym64MeSF |
Name |
Benzamide, 4-butyl-N-(2-pentyl)-N-propyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.240564621 u |
Formula |
C19H31NO |
InChI |
InChI=1S/C19H31NO/c1-5-8-10-17-11-13-18(14-12-17)19(21)20(15-7-3)16(4)9-6-2/h11-14,16H,5-10,15H2,1-4H3 |
InChIKey |
BQZWDZRMKDITDD-UHFFFAOYSA-N |
Molecular Weight |
289.463 g/mol |
SMILES |
C(=O)(N(CCC)C(CCC)C)C1=CC=C(C=C1)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940469 |