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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl pentadecyl ester
SpectraBase Compound ID EonqhCkKgpT
InChI InChI=1S/C29H45ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-33-28(31)24-19-14-15-20-25(24)29(32)34-27-22-17-16-21-26(27)30/h16-17,21-22,24-25H,2-15,18-20,23H2,1H3
InChIKey GIALXPAJIWDMQC-UHFFFAOYSA-N
Mol Weight 493.1 g/mol
Molecular Formula C29H45ClO4
Exact Mass 492.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FLgpgAmRYL
Name 1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 492.300637625 u
Formula C29H45ClO4
InChI InChI=1S/C29H45ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23-33-28(31)24-19-14-15-20-25(24)29(32)34-27-22-17-16-21-26(27)30/h16-17,21-22,24-25H,2-15,18-20,23H2,1H3
InChIKey GIALXPAJIWDMQC-UHFFFAOYSA-N
Molecular Weight 493.128 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)Cl)(OCCCCCCCCCCCCCCC)=O