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Fumaric acid, 6-ethyloct-3-yl pentyl ester
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IasA1OVu7Ge
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