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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl dodecyl ester
SpectraBase Compound ID PcImPi31z8
InChI InChI=1S/C26H39ClO4/c1-2-3-4-5-6-7-8-9-10-15-20-30-25(28)21-16-11-12-17-22(21)26(29)31-24-19-14-13-18-23(24)27/h13-14,18-19,21-22H,2-12,15-17,20H2,1H3
InChIKey SANGHKSWEYCKSW-UHFFFAOYSA-N
Mol Weight 451.0 g/mol
Molecular Formula C26H39ClO4
Exact Mass 450.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KF1n5S6QSd7
Name 1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.253687432 u
Formula C26H39ClO4
InChI InChI=1S/C26H39ClO4/c1-2-3-4-5-6-7-8-9-10-15-20-30-25(28)21-16-11-12-17-22(21)26(29)31-24-19-14-13-18-23(24)27/h13-14,18-19,21-22H,2-12,15-17,20H2,1H3
InChIKey SANGHKSWEYCKSW-UHFFFAOYSA-N
Molecular Weight 451.047 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)Cl)(OCCCCCCCCCCCC)=O