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Fumaric acid, decyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, decyl 3-phenylpropyl ester
SpectraBase Compound ID GJw18e10hc6
InChI InChI=1S/C23H34O4/c1-2-3-4-5-6-7-8-12-19-26-22(24)17-18-23(25)27-20-13-16-21-14-10-9-11-15-21/h9-11,14-15,17-18H,2-8,12-13,16,19-20H2,1H3/b18-17+
InChIKey HNQJLMFLPYLWEE-ISLYRVAYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5mCskL8mT5P
Name Fumaric acid, decyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-2-3-4-5-6-7-8-12-19-26-22(24)17-18-23(25)27-20-13-16-21-14-10-9-11-15-21/h9-11,14-15,17-18H,2-8,12-13,16,19-20H2,1H3/b18-17+
InChIKey HNQJLMFLPYLWEE-ISLYRVAYSA-N
Molecular Weight 374.521 g/mol
SMILES C(OC(\C=C\C(OCCCC1=CC=CC=C1)=O)=O)CCCCCCCCC