| SpectraBase Spectrum ID |
LBphRuZ043p |
| Name |
Benzamide, 3-methyl-N-benzyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.224914557 u |
| Formula |
C22H29NO |
| InChI |
InChI=1S/C22H29NO/c1-3-4-5-6-10-16-23(18-20-13-8-7-9-14-20)22(24)21-15-11-12-19(2)17-21/h7-9,11-15,17H,3-6,10,16,18H2,1-2H3 |
| InChIKey |
FVRDQIYBFDICOC-UHFFFAOYSA-N |
| Molecular Weight |
323.480 g/mol |
| SMILES |
C(N(CCCCCCC)CC1=CC=CC=C1)(=O)C=1C=C(C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956435 |
