| SpectraBase Spectrum ID |
HFEeA5yFLnD |
| Name |
Benzamide, 4-butyl-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 |
317.271864750 u |
| Formula |
C21H35NO |
| InChI |
InChI=1S/C21H35NO/c1-5-8-10-17-22(18(4)11-7-3)21(23)20-15-13-19(14-16-20)12-9-6-2/h13-16,18H,5-12,17H2,1-4H3 |
| InChIKey |
PPPIXMCQJVTBTP-UHFFFAOYSA-N |
| Molecular Weight |
317.517 g/mol |
| SMILES |
C(=O)(N(CCCCC)C(CCC)C)C1=CC=C(C=C1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928813 |
