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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, heptyl 4-methoxyphenyl ester
SpectraBase Compound ID Ft8ERg82KSr
InChI InChI=1S/C22H32O5/c1-3-4-5-6-9-16-26-21(23)19-10-7-8-11-20(19)22(24)27-18-14-12-17(25-2)13-15-18/h12-15,19-20H,3-11,16H2,1-2H3
InChIKey BIROOVPAKYONCK-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H32O5
Exact Mass 376.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45rWT6KlTcK
Name 1,2-Cyclohexanedicarboxylic acid, heptyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.224974125 u
Formula C22H32O5
InChI InChI=1S/C22H32O5/c1-3-4-5-6-9-16-26-21(23)19-10-7-8-11-20(19)22(24)27-18-14-12-17(25-2)13-15-18/h12-15,19-20H,3-11,16H2,1-2H3
InChIKey BIROOVPAKYONCK-UHFFFAOYSA-N
Molecular Weight 376.493 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C=C1)OC)C(OCCCCCCC)=O