| SpectraBase Spectrum ID |
Bf0MPel4MAA |
| Name |
Sebacic acid, isobutyl 3-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-5-18(4)14-15-23-19(21)12-10-8-6-7-9-11-13-20(22)24-16-17(2)3/h17-18H,5-16H2,1-4H3 |
| InChIKey |
KNYJOXPFYIHDSP-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(CCCCCCCCC(OCC(C)C)=O)(OCCC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980031 |
