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1,2-Cyclohexanedicarboxylic acid, hexyl tetradecyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, hexyl tetradecyl ester
SpectraBase Compound ID JKpSD2XKg8
InChI InChI=1S/C28H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKey XJAOFGPMMGBRBI-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FarXIfg7JmI
Name 1,2-Cyclohexanedicarboxylic acid, hexyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-3-5-7-9-10-11-12-13-14-15-16-20-24-32-28(30)26-22-18-17-21-25(26)27(29)31-23-19-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKey XJAOFGPMMGBRBI-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES CCCCCCCCCCCCCCOC(C1C(C(=O)OCCCCCC)CCCC1)=O