SpectraBase Spectrum ID |
CepYiI3GFdz |
Name |
Benzamide, 4-butyl-N-butyl-N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.193614428 u |
Formula |
C16H25NO |
InChI |
InChI=1S/C16H25NO/c1-4-6-8-14-9-11-15(12-10-14)16(18)17(3)13-7-5-2/h9-12H,4-8,13H2,1-3H3 |
InChIKey |
IBHXOIMKXIKOHX-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C1=C(C=CC(=C1)CCCC)C(N(C)CCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957148 |