| SpectraBase Spectrum ID |
5PGfgfOf4Xm |
| Name |
Benzamide, 4-methyl-N-(2-butyl)-N-(hept-2-yl)- |
| 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/c1-6-8-9-10-17(5)20(16(4)7-2)19(21)18-13-11-15(3)12-14-18/h11-14,16-17H,6-10H2,1-5H3 |
| InChIKey |
LMRFICHKQBIAEK-UHFFFAOYSA-N |
| Molecular Weight |
289.463 g/mol |
| SMILES |
C(N(C(CCCCC)C)C(CC)C)(=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907801 |
