| SpectraBase Spectrum ID |
7kyTVLtqZj4 |
| Name |
Benzamide, 4-propyl-N-(hept-2-yl)- |
| 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/c1-4-6-7-9-14(3)18-17(19)16-12-10-15(8-5-2)11-13-16/h10-14H,4-9H2,1-3H3,(H,18,19) |
| InChIKey |
VGDYDXSJJPICSS-UHFFFAOYSA-N |
| Molecular Weight |
261.409 g/mol |
| SMILES |
C(NC(CCCCC)C)(=O)C1=CC=C(CCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979836 |
