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1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl octyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl octyl ester
SpectraBase Compound ID 7q3rRFYhxI3
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-13-18-28-24(26)21-15-9-10-16-22(21)25(27)29-23-17-12-11-14-20(23)19(2)3/h11-12,14,17,19,21-22H,4-10,13,15-16,18H2,1-3H3
InChIKey OLAFASKJTHXILH-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 IfRZppzbkQC
Name 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-13-18-28-24(26)21-15-9-10-16-22(21)25(27)29-23-17-12-11-14-20(23)19(2)3/h11-12,14,17,19,21-22H,4-10,13,15-16,18H2,1-3H3
InChIKey OLAFASKJTHXILH-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=C(C=CC=C1)C(C)C)C(OCCCCCCCC)=O