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1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylbutyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylbutyl ester
SpectraBase Compound ID OXc1ND922U
InChI InChI=1S/C25H46O4/c1-4-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(3)5-2/h21-23H,4-20H2,1-3H3
InChIKey MEPLAXCWJWWWLR-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H46O4
Exact Mass 410.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImGuGMht1kZ
Name 1,2-Cyclohexanedicarboxylic acid, dodecyl 2-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.339609957 u
Formula C25H46O4
InChI InChI=1S/C25H46O4/c1-4-6-7-8-9-10-11-12-13-16-19-28-24(26)22-17-14-15-18-23(22)25(27)29-20-21(3)5-2/h21-23H,4-20H2,1-3H3
InChIKey MEPLAXCWJWWWLR-UHFFFAOYSA-N
Molecular Weight 410.639 g/mol
SMILES CCCCCCCCCCCCOC(C1C(C(=O)OCC(CC)C)CCCC1)=O