| SpectraBase Spectrum ID |
HJHwudCbDe7 |
| Name |
Benzamide, 3-methyl-N-(2-butyl)-N-pentyl- |
| 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/c1-5-7-8-12-18(15(4)6-2)17(19)16-11-9-10-14(3)13-16/h9-11,13,15H,5-8,12H2,1-4H3 |
| InChIKey |
JKPCSKMHLMWGNK-UHFFFAOYSA-N |
| Molecular Weight |
261.409 g/mol |
| SMILES |
C(N(CCCCC)C(CC)C)(=O)C=1C=C(C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951322 |
