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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, dodecyl 4-methoxyphenyl ester
SpectraBase Compound ID LU4gHKNo9hm
InChI InChI=1S/C27H42O5/c1-3-4-5-6-7-8-9-10-11-14-21-31-26(28)24-15-12-13-16-25(24)27(29)32-23-19-17-22(30-2)18-20-23/h17-20,24-25H,3-16,21H2,1-2H3
InChIKey VSSFWSSBNIUSSY-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JFejkk4Qru7
Name 1,2-Cyclohexanedicarboxylic acid, dodecyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.303224447 u
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-3-4-5-6-7-8-9-10-11-14-21-31-26(28)24-15-12-13-16-25(24)27(29)32-23-19-17-22(30-2)18-20-23/h17-20,24-25H,3-16,21H2,1-2H3
InChIKey VSSFWSSBNIUSSY-UHFFFAOYSA-N
Molecular Weight 446.628 g/mol
SMILES C1CCCC(C1C(OCCCCCCCCCCCC)=O)C(=O)OC1=CC=C(C=C1)OC