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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl 3-phenylpropyl ester
SpectraBase Compound ID CNMhokglwUP
InChI InChI=1S/C25H36O4/c1-2-3-4-5-6-12-19-28-24(26)22-17-10-11-18-23(22)25(27)29-20-13-16-21-14-8-7-9-15-21/h7-11,14-15,22-23H,2-6,12-13,16-20H2,1H3
InChIKey CKDJCSRGZMURBA-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJad6eE9idC
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, octyl 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.261359635 u
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-2-3-4-5-6-12-19-28-24(26)22-17-10-11-18-23(22)25(27)29-20-13-16-21-14-8-7-9-15-21/h7-11,14-15,22-23H,2-6,12-13,16-20H2,1H3
InChIKey CKDJCSRGZMURBA-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES C=1CC(C(CC1)C(OCCCC1=CC=CC=C1)=O)C(=O)OCCCCCCCC