| SpectraBase Spectrum ID |
7nacjYSmCwD |
| Name |
Sebacic acid, butyl 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/c1-5-8-18-25-21(23)16-13-11-9-10-12-14-17-22(24)26-20(7-3)19(4)15-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey |
INJOKCBAXWDOPK-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913581 |
