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Fumaric acid, heptyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, heptyl 2-isopropoxyphenyl ester
SpectraBase Compound ID KfvaxUTyz9O
InChI InChI=1S/C20H28O5/c1-4-5-6-7-10-15-23-19(21)13-14-20(22)25-18-12-9-8-11-17(18)24-16(2)3/h8-9,11-14,16H,4-7,10,15H2,1-3H3/b14-13+
InChIKey USWDOOYGEQDGEJ-BUHFOSPRSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GI8IxvXP4mO
Name Fumaric acid, heptyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.193673997 u
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-4-5-6-7-10-15-23-19(21)13-14-20(22)25-18-12-9-8-11-17(18)24-16(2)3/h8-9,11-14,16H,4-7,10,15H2,1-3H3/b14-13+
InChIKey USWDOOYGEQDGEJ-BUHFOSPRSA-N
Molecular Weight 348.439 g/mol
SMILES C(\C=C\C(OC1=C(C=CC=C1)OC(C)C)=O)(OCCCCCCC)=O