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1,2-Cyclohexanedicarboxylic acid, pentyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, pentyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID L2y1K3h2pZP
InChI InChI=1S/C19H23Cl3O4/c1-2-3-6-9-25-18(23)13-7-4-5-8-14(13)19(24)26-17-15(21)10-12(20)11-16(17)22/h10-11,13-14H,2-9H2,1H3
InChIKey PCSYOVGAUYFPPK-UHFFFAOYSA-N
Mol Weight 421.75 g/mol
Molecular Formula C19H23Cl3O4
Exact Mass 420.066192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rqKp1frQVy
Name 1,2-Cyclohexanedicarboxylic acid, pentyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.066192317 u
Formula C19H23Cl3O4
InChI InChI=1S/C19H23Cl3O4/c1-2-3-6-9-25-18(23)13-7-4-5-8-14(13)19(24)26-17-15(21)10-12(20)11-16(17)22/h10-11,13-14H,2-9H2,1H3
InChIKey PCSYOVGAUYFPPK-UHFFFAOYSA-N
Molecular Weight 421.748 g/mol
SMILES CCCCCOC(C1C(C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)CCCC1)=O