| SpectraBase Spectrum ID |
4XPklHm1hV3 |
| Name |
Sebacic acid, isobutyl oct-3-en-2-yl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-5-6-7-12-15-20(4)26-22(24)17-14-11-9-8-10-13-16-21(23)25-18-19(2)3/h12,15,19-20H,5-11,13-14,16-18H2,1-4H3/b15-12+ |
| InChIKey |
LEKBSFFOUJQLPU-NTCAYCPXSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(\C=C\CCCC)(OC(CCCCCCCCC(OCC(C)C)=O)=O)C |
