SpectraBase Spectrum ID |
6CDlL1piQ9e |
Name |
Acetamide, 2-(4-nitrophenyl)-N-(2-butyl)-N-dodecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.303893153 u |
Formula |
C24H40N2O3 |
InChI |
InChI=1S/C24H40N2O3/c1-4-6-7-8-9-10-11-12-13-14-19-25(21(3)5-2)24(27)20-22-15-17-23(18-16-22)26(28)29/h15-18,21H,4-14,19-20H2,1-3H3 |
InChIKey |
MANMWWPECPUTJW-UHFFFAOYSA-N |
Molecular Weight |
404.595 g/mol |
SMILES |
C1=C(C=CC(=C1)N(=O)=O)CC(N(CCCCCCCCCCCC)C(CC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810794 |