| SpectraBase Spectrum ID |
BrS1ZGTAiG4 |
| Name |
4,8,12-Trimethyltridecanoic acid, dmox derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.303164879 u |
| Formula |
C20H39NO |
| InChI |
InChI=1S/C20H39NO/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-19-21-20(5,6)15-22-19/h16-18H,7-15H2,1-6H3 |
| InChIKey |
JXFLBTRZYVGMOD-UHFFFAOYSA-N |
| Molecular Weight |
309.538 g/mol |
| SMILES |
C1(=NC(C)(C)CO1)CCC(CCCC(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948767 |
