| SpectraBase Spectrum ID |
A7ZuSS7ndEg |
| Name |
Sebacic acid, isobutyl 4-methylhept-3-yl 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/c1-6-14-19(5)20(7-2)26-22(24)16-13-11-9-8-10-12-15-21(23)25-17-18(3)4/h18-20H,6-17H2,1-5H3 |
| InChIKey |
QPWKPGOSDDTMIK-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928691 |
