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1,2-Cyclohexanedicarboxylic acid, decyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, decyl 3-methylphenyl ester
SpectraBase Compound ID 95HAHVlVAHu
InChI InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-12-18-28-24(26)22-16-10-11-17-23(22)25(27)29-21-15-13-14-20(2)19-21/h13-15,19,22-23H,3-12,16-18H2,1-2H3
InChIKey JVSSVWTXKDONDH-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gpoxn27w00
Name 1,2-Cyclohexanedicarboxylic acid, decyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-12-18-28-24(26)22-16-10-11-17-23(22)25(27)29-21-15-13-14-20(2)19-21/h13-15,19,22-23H,3-12,16-18H2,1-2H3
InChIKey JVSSVWTXKDONDH-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1(=CC(=CC=C1)C)OC(C1CCCCC1C(OCCCCCCCCCC)=O)=O