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1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl octyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl octyl ester
SpectraBase Compound ID 35ZcSJrAgrE
InChI InChI=1S/C22H30Cl2O4/c1-2-3-4-5-6-9-14-27-21(25)17-10-7-8-11-18(17)22(26)28-20-15-16(23)12-13-19(20)24/h12-13,15,17-18H,2-11,14H2,1H3
InChIKey QPMOYRSPZXFBCV-UHFFFAOYSA-N
Mol Weight 429.38 g/mol
Molecular Formula C22H30Cl2O4
Exact Mass 428.152115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnbQs3ebC73
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dichlorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.152114842 u
Formula C22H30Cl2O4
InChI InChI=1S/C22H30Cl2O4/c1-2-3-4-5-6-9-14-27-21(25)17-10-7-8-11-18(17)22(26)28-20-15-16(23)12-13-19(20)24/h12-13,15,17-18H,2-11,14H2,1H3
InChIKey QPMOYRSPZXFBCV-UHFFFAOYSA-N
Molecular Weight 429.384 g/mol
SMILES C1(=C(C=C(C=C1)Cl)OC(C1CCCCC1C(OCCCCCCCC)=O)=O)Cl