SpectraBase Compound ID | 2N0IMaHZLfv |
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InChI | InChI=1S/C21H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-8-10-12-16-20(22)24-18-14-6-4-2/h5,7H,3-4,6,8-19H2,1-2H3/b7-5+ |
InChIKey | YDPUFZCPFSPOLQ-FNORWQNLSA-N |
Mol Weight | 354.5 g/mol |
Molecular Formula | C21H38O4 |
Exact Mass | 354.27701 g/mol |
SpectraBase Spectrum ID | K0SplLWQB7Y |
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Name | Sebacic acid, pentyl trans-3-hexenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 354.277009700 u |
Formula | C21H38O4 |
InChI | InChI=1S/C21H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-8-10-12-16-20(22)24-18-14-6-4-2/h5,7H,3-4,6,8-19H2,1-2H3/b7-5+ |
InChIKey | YDPUFZCPFSPOLQ-FNORWQNLSA-N |
Molecular Weight | 354.531 g/mol |
SMILES | CC\C=C\CCOC(CCCCCCCCC(OCCCCC)=O)=O |