SpectraBase Spectrum ID |
HBZIRTwT4AU |
Name |
Acetamide, 2-phenyl-N-(2-pentyl)-N-butyl- |
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/c1-4-6-13-18(15(3)10-5-2)17(19)14-16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3 |
InChIKey |
ZKFSSVDKEHIBMP-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C(N(C(CCC)C)C(=O)CC1=CC=CC=C1)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877094 |