| SpectraBase Spectrum ID |
53pTjpbZ7jg |
| Name |
Sebacic acid, butyl oct-3-en-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-4-6-8-13-16-20(3)26-22(24)18-15-12-10-9-11-14-17-21(23)25-19-7-5-2/h13,16,20H,4-12,14-15,17-19H2,1-3H3/b16-13+ |
| InChIKey |
RVZAEKITVVSSHL-DTQAZKPQSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(\C=C\CCCC)(OC(CCCCCCCCC(OCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946483 |
