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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, hexyl 4-isopropylphenyl ester
SpectraBase Compound ID 7KRcKBWn3r0
InChI InChI=1S/C23H34O4/c1-4-5-6-9-16-26-22(24)20-10-7-8-11-21(20)23(25)27-19-14-12-18(13-15-19)17(2)3/h12-15,17,20-21H,4-11,16H2,1-3H3
InChIKey YKYLBQMSVOTEBH-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3WMOxzQzrE
Name 1,2-Cyclohexanedicarboxylic acid, hexyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-4-5-6-9-16-26-22(24)20-10-7-8-11-21(20)23(25)27-19-14-12-18(13-15-19)17(2)3/h12-15,17,20-21H,4-11,16H2,1-3H3
InChIKey YKYLBQMSVOTEBH-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C1(=CC=C(C=C1)C(C)C)OC(C1CCCCC1C(OCCCCCC)=O)=O