| SpectraBase Spectrum ID |
APCw9UYeqoN |
| Name |
Benzamide, 4-butyl-N-methyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
289.240564621 u |
| Formula |
C19H31NO |
| InChI |
InChI=1S/C19H31NO/c1-4-6-8-9-10-16-20(3)19(21)18-14-12-17(13-15-18)11-7-5-2/h12-15H,4-11,16H2,1-3H3 |
| InChIKey |
IFCZSPLWMHPFSB-UHFFFAOYSA-N |
| Molecular Weight |
289.463 g/mol |
| SMILES |
C1=C(C=CC(=C1)CCCC)C(N(CCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967962 |
