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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, isobutyl 4-methoxyphenyl ester
SpectraBase Compound ID AdZWD0qgxQV
InChI InChI=1S/C19H26O5/c1-13(2)12-23-18(20)16-6-4-5-7-17(16)19(21)24-15-10-8-14(22-3)9-11-15/h8-11,13,16-17H,4-7,12H2,1-3H3
InChIKey IHUPGFQLABEMFI-UHFFFAOYSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5UyNjb2BtN
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.178023932 u
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-13(2)12-23-18(20)16-6-4-5-7-17(16)19(21)24-15-10-8-14(22-3)9-11-15/h8-11,13,16-17H,4-7,12H2,1-3H3
InChIKey IHUPGFQLABEMFI-UHFFFAOYSA-N
Molecular Weight 334.412 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C=C1)OC)C(OCC(C)C)=O