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1,2-Cyclohexanedicarboxylic acid, 2-biphenyl hexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-biphenyl hexyl ester
SpectraBase Compound ID 88Lmun1gw11
InChI InChI=1S/C26H32O4/c1-2-3-4-12-19-29-25(27)22-16-8-9-17-23(22)26(28)30-24-18-11-10-15-21(24)20-13-6-5-7-14-20/h5-7,10-11,13-15,18,22-23H,2-4,8-9,12,16-17,19H2,1H3
InChIKey RIFPUXXXQVKNID-UHFFFAOYSA-N
Mol Weight 408.5 g/mol
Molecular Formula C26H32O4
Exact Mass 408.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ge7foS82w2P
Name 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.230059506 u
Formula C26H32O4
InChI InChI=1S/C26H32O4/c1-2-3-4-12-19-29-25(27)22-16-8-9-17-23(22)26(28)30-24-18-11-10-15-21(24)20-13-6-5-7-14-20/h5-7,10-11,13-15,18,22-23H,2-4,8-9,12,16-17,19H2,1H3
InChIKey RIFPUXXXQVKNID-UHFFFAOYSA-N
Molecular Weight 408.538 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)C1=CC=CC=C1)(OCCCCCC)=O