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1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl octyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl octyl ester
SpectraBase Compound ID Hdhz77sL1ZY
InChI InChI=1S/C22H31ClO4/c1-2-3-4-5-6-11-16-26-21(24)17-12-7-8-13-18(17)22(25)27-20-15-10-9-14-19(20)23/h9-10,14-15,17-18H,2-8,11-13,16H2,1H3
InChIKey DTWFJLCEMPKWOP-UHFFFAOYSA-N
Mol Weight 394.94 g/mol
Molecular Formula C22H31ClO4
Exact Mass 394.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mZ9MvIYGst
Name 1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.191087174 u
Formula C22H31ClO4
InChI InChI=1S/C22H31ClO4/c1-2-3-4-5-6-11-16-26-21(24)17-12-7-8-13-18(17)22(25)27-20-15-10-9-14-19(20)23/h9-10,14-15,17-18H,2-8,11-13,16H2,1H3
InChIKey DTWFJLCEMPKWOP-UHFFFAOYSA-N
Molecular Weight 394.939 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)Cl)(OCCCCCCCC)=O