SpectraBase Spectrum ID |
Bf7HLlKXh2U |
Name |
Benzamide, 4-butyl-N-(2-pentyl)-N-(3-methylbutyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.271864750 u |
Formula |
C21H35NO |
InChI |
InChI=1S/C21H35NO/c1-6-8-10-19-11-13-20(14-12-19)21(23)22(16-15-17(3)4)18(5)9-7-2/h11-14,17-18H,6-10,15-16H2,1-5H3 |
InChIKey |
RYVUAKJODHZCGP-UHFFFAOYSA-N |
Molecular Weight |
317.517 g/mol |
SMILES |
C(=O)(N(CCC(C)C)C(CCC)C)C1=CC=C(C=C1)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904846 |