SpectraBase Compound ID | 1fNJLiff1PW |
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InChI | InChI=1S/C19H34O4/c1-3-5-13-17-23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-6-4-2/h4,6H,3,5,7-17H2,1-2H3/b6-4+ |
InChIKey | XUPKPXVFKSUKBD-GQCTYLIASA-N |
Mol Weight | 326.5 g/mol |
Molecular Formula | C19H34O4 |
Exact Mass | 326.24571 g/mol |
SpectraBase Spectrum ID | 1CXDIwP6zmi |
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Name | Sebacic acid, but-2-enyl pentyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 326.245709571 u |
Formula | C19H34O4 |
InChI | InChI=1S/C19H34O4/c1-3-5-13-17-23-19(21)15-12-10-8-7-9-11-14-18(20)22-16-6-4-2/h4,6H,3,5,7-17H2,1-2H3/b6-4+ |
InChIKey | XUPKPXVFKSUKBD-GQCTYLIASA-N |
Molecular Weight | 326.477 g/mol |
SMILES | C(CCCCCCCCC(OC\C=C\C)=O)(OCCCCC)=O |