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1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl pentadecyl ester

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

1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl pentadecyl ester
SpectraBase Compound ID qTE7P2ZYcK
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-24(4)23(2)3/h23-26H,5-22H2,1-4H3
InChIKey GODPKWBFJFURBF-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C28H52O4
Exact Mass 452.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTfvDnOX6rO
Name 1,2-Cyclohexanedicarboxylic acid, 3-methylbut-2-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.386560150 u
Formula C28H52O4
InChI InChI=1S/C28H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-22-31-27(29)25-20-17-18-21-26(25)28(30)32-24(4)23(2)3/h23-26H,5-22H2,1-4H3
InChIKey GODPKWBFJFURBF-UHFFFAOYSA-N
Molecular Weight 452.720 g/mol
SMILES CCCCCCCCCCCCCCCOC(C1CCCCC1C(=O)OC(C(C)C)C)=O