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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, ethyl 2-isopropylphenyl ester
SpectraBase Compound ID L0t5TZEpk9I
InChI InChI=1S/C19H26O4/c1-4-22-18(20)15-10-5-6-11-16(15)19(21)23-17-12-8-7-9-14(17)13(2)3/h7-9,12-13,15-16H,4-6,10-11H2,1-3H3
InChIKey FIFQDTODBRRQFS-UHFFFAOYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DC3rHWCrOXL
Name 1,2-Cyclohexanedicarboxylic acid, ethyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 318.183109313 u
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-4-22-18(20)15-10-5-6-11-16(15)19(21)23-17-12-8-7-9-14(17)13(2)3/h7-9,12-13,15-16H,4-6,10-11H2,1-3H3
InChIKey FIFQDTODBRRQFS-UHFFFAOYSA-N
Molecular Weight 318.413 g/mol
SMILES C1CCCC(C1C(OCC)=O)C(=O)OC=1C(C(C)C)=CC=CC1