SpectraBase Spectrum ID |
4pUc64riwjR |
Name |
Sebacic acid, isobutyl 2-propylpentyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
370.308309828 u |
Formula |
C22H42O4 |
InChI |
InChI=1S/C22H42O4/c1-5-13-20(14-6-2)18-26-22(24)16-12-10-8-7-9-11-15-21(23)25-17-19(3)4/h19-20H,5-18H2,1-4H3 |
InChIKey |
LNZGAHXFWZGWFI-UHFFFAOYSA-N |
Molecular Weight |
370.574 g/mol |
SMILES |
C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988417 |