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1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl tetradecyl ester
SpectraBase Compound ID 9Y3Q5Tja9aV
InChI InChI=1S/C24H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-28-23(26)21-16-13-14-17-22(21)24(27)29-20-18-25/h21-22H,2-20H2,1H3
InChIKey IORCAXGUDIKWPG-UHFFFAOYSA-N
Mol Weight 431.1 g/mol
Molecular Formula C24H43ClO4
Exact Mass 430.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HhpnZR6284
Name 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.284987561 u
Formula C24H43ClO4
InChI InChI=1S/C24H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-28-23(26)21-16-13-14-17-22(21)24(27)29-20-18-25/h21-22H,2-20H2,1H3
InChIKey IORCAXGUDIKWPG-UHFFFAOYSA-N
Molecular Weight 431.057 g/mol
SMILES C1CC(C(CC1)C(=O)OCCCl)C(OCCCCCCCCCCCCCC)=O