| SpectraBase Spectrum ID |
FYcLsHUfPNj |
| Name |
Sebacic acid, di(3-methylpentyl) 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/c1-5-19(3)15-17-25-21(23)13-11-9-7-8-10-12-14-22(24)26-18-16-20(4)6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey |
TZNRJKVAVZZMSM-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCCCCCC(OCCC(C)CC)=O)(OCCC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.991035 |
