| SpectraBase Spectrum ID |
DYJIlMv2SeV |
| Name |
Sebacic acid, isohexyl 2-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-5-19(4)17-25-21(23)15-11-9-7-6-8-10-14-20(22)24-16-12-13-18(2)3/h18-19H,5-17H2,1-4H3 |
| InChIKey |
LZNJYIKIMGFVFZ-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCCC(OCC(C)CC)=O)CCC(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960427 |
