SpectraBase Spectrum ID |
D2hXdehbLW4 |
Name |
Benzamide, 4-butyl-N-allyl-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
287.224914557 u |
Formula |
C19H29NO |
InChI |
InChI=1S/C19H29NO/c1-4-7-9-16-20(15-6-3)19(21)18-13-11-17(12-14-18)10-8-5-2/h6,11-14H,3-5,7-10,15-16H2,1-2H3 |
InChIKey |
LFXDAOXEFSNSPW-UHFFFAOYSA-N |
SMILES |
C(N(CCCCC)CC=C)(=O)C=1C=CC(=CC1)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955195 |