SpectraBase Spectrum ID |
AiOAnhK0J4y |
Name |
Benzamide, 2-methyl-N-allyl-N-butyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
231.162314299 u |
Formula |
C15H21NO |
InChI |
InChI=1S/C15H21NO/c1-4-6-12-16(11-5-2)15(17)14-10-8-7-9-13(14)3/h5,7-10H,2,4,6,11-12H2,1,3H3 |
InChIKey |
MDSHFNPJEDOGBK-UHFFFAOYSA-N |
Molecular Weight |
231.339 g/mol |
SMILES |
C(N(CCCC)CC=C)(=O)C=1C(C)=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892766 |