SpectraBase Spectrum ID |
LgFkY1glfCJ |
Name |
Benzamide, 2,4-dimethyl-N-octyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.209264492 u |
Formula |
C17H27NO |
InChI |
InChI=1S/C17H27NO/c1-4-5-6-7-8-9-12-18-17(19)16-11-10-14(2)13-15(16)3/h10-11,13H,4-9,12H2,1-3H3,(H,18,19) |
InChIKey |
FGGURGWUOMUPNU-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C(CNC(=O)C1=C(C)C=C(C)C=C1)CCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957949 |