SpectraBase Spectrum ID |
74UwtnTNM45 |
Name |
Benzamide, 4-butyl-N-methyl-N-undecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
345.303164879 u |
Formula |
C23H39NO |
InChI |
InChI=1S/C23H39NO/c1-4-6-8-9-10-11-12-13-14-20-24(3)23(25)22-18-16-21(17-19-22)15-7-5-2/h16-19H,4-15,20H2,1-3H3 |
InChIKey |
ZFYXKMPUMMBWQA-UHFFFAOYSA-N |
Molecular Weight |
345.571 g/mol |
SMILES |
C1=C(C=CC(=C1)CCCC)C(N(CCCCCCCCCCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942576 |