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

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

Fumaric acid, 3-phenylpropyl 2-methylpent-3-yl ester
SpectraBase Compound ID Cf0uB1MhawF
InChI InChI=1S/C19H26O4/c1-4-17(15(2)3)23-19(21)13-12-18(20)22-14-8-11-16-9-6-5-7-10-16/h5-7,9-10,12-13,15,17H,4,8,11,14H2,1-3H3/b13-12+
InChIKey DSJOBIJGUVGHFM-OUKQBFOZSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B9SAmuszvu9
Name Fumaric acid, 3-phenylpropyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-4-17(15(2)3)23-19(21)13-12-18(20)22-14-8-11-16-9-6-5-7-10-16/h5-7,9-10,12-13,15,17H,4,8,11,14H2,1-3H3/b13-12+
InChIKey DSJOBIJGUVGHFM-OUKQBFOZSA-N
Molecular Weight 318.413 g/mol
SMILES C(\C=C\C(OC(CC)C(C)C)=O)(OCCCC1=CC=CC=C1)=O