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Fumaric acid, octyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, octyl 3-phenylpropyl ester
SpectraBase Compound ID HZvRVEuXj7Q
InChI InChI=1S/C21H30O4/c1-2-3-4-5-6-10-17-24-20(22)15-16-21(23)25-18-11-14-19-12-8-7-9-13-19/h7-9,12-13,15-16H,2-6,10-11,14,17-18H2,1H3/b16-15+
InChIKey MZZSMPLPWXAAQV-FOCLMDBBSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1AlZh3CFiEb
Name Fumaric acid, octyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-2-3-4-5-6-10-17-24-20(22)15-16-21(23)25-18-11-14-19-12-8-7-9-13-19/h7-9,12-13,15-16H,2-6,10-11,14,17-18H2,1H3/b16-15+
InChIKey MZZSMPLPWXAAQV-FOCLMDBBSA-N
Molecular Weight 346.467 g/mol
SMILES C(OC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O)CCCCCCC