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1,2-Cyclohexanedicarboxylic acid, heptyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, heptyl 4-isopropylphenyl ester
SpectraBase Compound ID AIXTvXnbB5o
InChI InChI=1S/C24H36O4/c1-4-5-6-7-10-17-27-23(25)21-11-8-9-12-22(21)24(26)28-20-15-13-19(14-16-20)18(2)3/h13-16,18,21-22H,4-12,17H2,1-3H3
InChIKey RQIWLLWENZLDQT-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7q0hDilyaxm
Name 1,2-Cyclohexanedicarboxylic acid, heptyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-4-5-6-7-10-17-27-23(25)21-11-8-9-12-22(21)24(26)28-20-15-13-19(14-16-20)18(2)3/h13-16,18,21-22H,4-12,17H2,1-3H3
InChIKey RQIWLLWENZLDQT-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1=C(C=CC(=C1)C(C)C)OC(C1CCCCC1C(OCCCCCCC)=O)=O