SpectraBase Spectrum ID |
1lbheGJ7tr3 |
Name |
Benzamide, 4-methyl-N-undecyl- |
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/c1-3-4-5-6-7-8-9-10-11-16-20-19(21)18-14-12-17(2)13-15-18/h12-15H,3-11,16H2,1-2H3,(H,20,21) |
InChIKey |
FTVUOTQCMWFTIV-UHFFFAOYSA-N |
Molecular Weight |
289.463 g/mol |
SMILES |
C(NCCCCCCCCCCC)(=O)C=1C=CC(=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923503 |