SpectraBase Compound ID | 2eCrtsTKA9q |
---|---|
InChI | InChI=1S/C19H34O4/c1-5-9-10-15-22-18(20)13-14-19(21)23-17(8-4)12-11-16(6-2)7-3/h13-14,16-17H,5-12,15H2,1-4H3/b14-13+ |
InChIKey | XUNWRILYXZVMFY-BUHFOSPRSA-N |
Mol Weight | 326.5 g/mol |
Molecular Formula | C19H34O4 |
Exact Mass | 326.24571 g/mol |
SpectraBase Spectrum ID | IasA1OVu7Ge |
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Name | Fumaric acid, 6-ethyloct-3-yl 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/c1-5-9-10-15-22-18(20)13-14-19(21)23-17(8-4)12-11-16(6-2)7-3/h13-14,16-17H,5-12,15H2,1-4H3/b14-13+ |
InChIKey | XUNWRILYXZVMFY-BUHFOSPRSA-N |
Molecular Weight | 326.477 g/mol |
SMILES | C(\C=C\C(OCCCCC)=O)(OC(CCC(CC)CC)CC)=O |