SpectraBase Spectrum ID |
8PeeJRAEuTk |
Name |
Benzamide, 4-butyl-N-(3-methylbutyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.193614428 u |
Formula |
C16H25NO |
InChI |
InChI=1S/C16H25NO/c1-4-5-6-14-7-9-15(10-8-14)16(18)17-12-11-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,17,18) |
InChIKey |
HUYRCYTUDIKIJF-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C(NCCC(C)C)(=O)C=1C=CC(=CC1)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928766 |