SpectraBase Spectrum ID |
KozHNEaOWYn |
Name |
Benzamide, 4-methyl-N-(hept-2-yl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
233.177964364 u |
Formula |
C15H23NO |
InChI |
InChI=1S/C15H23NO/c1-4-5-6-7-13(3)16-15(17)14-10-8-12(2)9-11-14/h8-11,13H,4-7H2,1-3H3,(H,16,17) |
InChIKey |
ZKRXZMYQHZOKFU-UHFFFAOYSA-N |
Molecular Weight |
233.355 g/mol |
SMILES |
C(NC(CCCCC)C)(=O)C=1C=CC(=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971526 |