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Fumaric acid, 3-phenylpropyl hept-2-yl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 3-phenylpropyl hept-2-yl ester
SpectraBase Compound ID 53MF7bcxo35
InChI InChI=1S/C20H28O4/c1-3-4-6-10-17(2)24-20(22)15-14-19(21)23-16-9-13-18-11-7-5-8-12-18/h5,7-8,11-12,14-15,17H,3-4,6,9-10,13,16H2,1-2H3/b15-14+
InChIKey WKGVBLZVHDACSF-CCEZHUSRSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAoPh2oLIOT
Name Fumaric acid, 3-phenylpropyl hept-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-3-4-6-10-17(2)24-20(22)15-14-19(21)23-16-9-13-18-11-7-5-8-12-18/h5,7-8,11-12,14-15,17H,3-4,6,9-10,13,16H2,1-2H3/b15-14+
InChIKey WKGVBLZVHDACSF-CCEZHUSRSA-N
Molecular Weight 332.440 g/mol
SMILES C(\C=C\C(OC(C)CCCCC)=O)(OCCCC1=CC=CC=C1)=O