SpectraBase Spectrum ID |
mg3IT4pwJ1 |
Name |
Benzamide, 4-butyl-N,N-dipropyl- |
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/c1-4-7-8-15-9-11-16(12-10-15)17(19)18(13-5-2)14-6-3/h9-12H,4-8,13-14H2,1-3H3 |
InChIKey |
CKDINJZTGWUVJD-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C(C1=CC=C(C=C1)CCCC)(N(CCC)CCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96631 |