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Succinic acid, isohexyl 4-(2-phenylprop-2-yl)-phenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, isohexyl 4-(2-phenylprop-2-yl)-phenyl ester
SpectraBase Compound ID Bb7OO0vRa8q
InChI InChI=1S/C25H32O4/c1-19(2)9-8-18-28-23(26)16-17-24(27)29-22-14-12-21(13-15-22)25(3,4)20-10-6-5-7-11-20/h5-7,10-15,19H,8-9,16-18H2,1-4H3
InChIKey YFSXUYDGJUZBIT-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLYaQEcr7Xr
Name Succinic acid, isohexyl 4-(2-phenylprop-2-yl)-phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-19(2)9-8-18-28-23(26)16-17-24(27)29-22-14-12-21(13-15-22)25(3,4)20-10-6-5-7-11-20/h5-7,10-15,19H,8-9,16-18H2,1-4H3
InChIKey YFSXUYDGJUZBIT-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C(CCC(OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)=O)(OCCCC(C)C)=O