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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, decyl 4-methoxyphenyl ester
SpectraBase Compound ID GF7ZdYLKX1P
InChI InChI=1S/C25H38O5/c1-3-4-5-6-7-8-9-12-19-29-24(26)22-13-10-11-14-23(22)25(27)30-21-17-15-20(28-2)16-18-21/h15-18,22-23H,3-14,19H2,1-2H3
InChIKey HIYZMQYLHANDJG-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KOzSK2Apxr
Name 1,2-Cyclohexanedicarboxylic acid, decyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.271924319 u
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-3-4-5-6-7-8-9-12-19-29-24(26)22-13-10-11-14-23(22)25(27)30-21-17-15-20(28-2)16-18-21/h15-18,22-23H,3-14,19H2,1-2H3
InChIKey HIYZMQYLHANDJG-UHFFFAOYSA-N
Molecular Weight 418.574 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C=C1)OC)C(OCCCCCCCCCC)=O