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Fumaric acid, 2-isopropoxyphenyl hept-2-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2-isopropoxyphenyl hept-2-yl ester
SpectraBase Compound ID FPSZbmsqK0t
InChI InChI=1S/C20H28O5/c1-5-6-7-10-16(4)24-19(21)13-14-20(22)25-18-12-9-8-11-17(18)23-15(2)3/h8-9,11-16H,5-7,10H2,1-4H3/b14-13+
InChIKey KVHCXKYCRMNSSY-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 Ek5akRdHjeW
Name Fumaric acid, 2-isopropoxyphenyl hept-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.193673997 u
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-5-6-7-10-16(4)24-19(21)13-14-20(22)25-18-12-9-8-11-17(18)23-15(2)3/h8-9,11-16H,5-7,10H2,1-4H3/b14-13+
InChIKey KVHCXKYCRMNSSY-BUHFOSPRSA-N
Molecular Weight 348.439 g/mol
SMILES C(\C=C\C(OC(C)CCCCC)=O)(OC1=C(C=CC=C1)OC(C)C)=O