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cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl 3-phenylpropyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl 3-phenylpropyl ester
SpectraBase Compound ID 3COvPrKmvDg
InChI InChI=1S/C23H32O4/c1-18(2)10-8-16-26-22(24)20-14-6-7-15-21(20)23(25)27-17-9-13-19-11-4-3-5-12-19/h3-7,11-12,18,20-21H,8-10,13-17H2,1-2H3
InChIKey QPLRVZQHNVUEPP-UHFFFAOYSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWa6MNhtL3Q
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, isohexyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.230059506 u
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-18(2)10-8-16-26-22(24)20-14-6-7-15-21(20)23(25)27-17-9-13-19-11-4-3-5-12-19/h3-7,11-12,18,20-21H,8-10,13-17H2,1-2H3
InChIKey QPLRVZQHNVUEPP-UHFFFAOYSA-N
Molecular Weight 372.505 g/mol
SMILES C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCC(C)C