| SpectraBase Spectrum ID |
4tGxBCjcjM4 |
| Name |
Benzamide, 4-methyl-N-benzyl-N-hexyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.209264492 u |
| Formula |
C21H27NO |
| InChI |
InChI=1S/C21H27NO/c1-3-4-5-9-16-22(17-19-10-7-6-8-11-19)21(23)20-14-12-18(2)13-15-20/h6-8,10-15H,3-5,9,16-17H2,1-2H3 |
| InChIKey |
MQJAHLXALVLYLB-UHFFFAOYSA-N |
| Molecular Weight |
309.453 g/mol |
| SMILES |
C(N(CCCCCC)CC1=CC=CC=C1)(=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917876 |
