| SpectraBase Spectrum ID |
8NVqZIgbdp6 |
| Name |
Benzamide, 4-butyl-N-(2-pentyl)-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.287514814 u |
| Formula |
C22H37NO |
| InChI |
InChI=1S/C22H37NO/c1-5-8-10-11-18-23(19(4)12-7-3)22(24)21-16-14-20(15-17-21)13-9-6-2/h14-17,19H,5-13,18H2,1-4H3 |
| InChIKey |
QNNLTRZQKDLXOC-UHFFFAOYSA-N |
| Molecular Weight |
331.544 g/mol |
| SMILES |
C(=O)(N(CCCCCC)C(CCC)C)C1=CC=C(C=C1)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940958 |
