| SpectraBase Spectrum ID |
8RzFdam3qEG |
| Name |
Benzamide, 2,3,4-trimethoxy-N-(2-pentyl)-N-dodecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.350508993 u |
| Formula |
C27H47NO4 |
| InChI |
InChI=1S/C27H47NO4/c1-7-9-10-11-12-13-14-15-16-17-21-28(22(3)18-8-2)27(29)23-19-20-24(30-4)26(32-6)25(23)31-5/h19-20,22H,7-18,21H2,1-6H3 |
| InChIKey |
PGGXAEWTMDTJBK-UHFFFAOYSA-N |
| Molecular Weight |
449.676 g/mol |
| SMILES |
CCCC(N(C(=O)C1=C(C(OC)=C(OC)C=C1)OC)CCCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920018 |
