SpectraBase Spectrum ID |
LAkvchbF7r3 |
Name |
Benzamide, 3-methyl-N-(2-phenylethyl)-N-(2-heptyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
337.240564621 u |
Formula |
C23H31NO |
InChI |
InChI=1S/C23H31NO/c1-4-5-7-12-20(3)24(17-16-21-13-8-6-9-14-21)23(25)22-15-10-11-19(2)18-22/h6,8-11,13-15,18,20H,4-5,7,12,16-17H2,1-3H3 |
InChIKey |
VFCFHEBPDCTYLO-UHFFFAOYSA-N |
Molecular Weight |
337.507 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)C=1C=CC=C(C)C1)C(CCCCC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95868 |