| SpectraBase Spectrum ID |
HbgcDV95qNa |
| Name |
Benzamide, 3-methyl-N-propyl-N-pentyl- |
| 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/c1-4-6-7-12-17(11-5-2)16(18)15-10-8-9-14(3)13-15/h8-10,13H,4-7,11-12H2,1-3H3 |
| InChIKey |
HRKJWCOBSLHPQM-UHFFFAOYSA-N |
| Molecular Weight |
247.382 g/mol |
| SMILES |
C(C1=CC=CC(C)=C1)(N(CCCCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873884 |
