SpectraBase Spectrum ID |
DgU8G4C7qOF |
Name |
Benzamide, 2-methyl-N-propyl-N-hexyl- |
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/c1-4-6-7-10-14-18(13-5-2)17(19)16-12-9-8-11-15(16)3/h8-9,11-12H,4-7,10,13-14H2,1-3H3 |
InChIKey |
SDSQXRVPJYKYIS-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C(C1=CC=CC=C1C)(N(CCCCCC)CCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952564 |