| SpectraBase Spectrum ID |
9kIp51rX04S |
| Name |
2-Methyl-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.199428083 u |
| Formula |
C22H26N2O2 |
| InChI |
InChI=1S/C22H26N2O2/c1-16-9-3-5-11-18(16)15-24-14-8-7-13-20(22(24)26)23-21(25)19-12-6-4-10-17(19)2/h3-6,9-12,20H,7-8,13-15H2,1-2H3,(H,23,25) |
| InChIKey |
TYUPNNLHNCAQAZ-UHFFFAOYSA-N |
| Molecular Weight |
350.462 g/mol |
| SMILES |
C(C1=C(C=CC=C1)C)(=O)NC1C(N(CCCC1)CC1=C(C=CC=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824193 |
![2-Methyl-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide](/api/spectrum/9kIp51rX04S/structure.png?h=300&w=458 "2-Methyl-N-[1-(2-methylbenzyl)-2-oxoazepan-3-yl]benzamide")
