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1,2-Cyclohexanedicarboxylic acid, decyl 2-ethylhexyl ester
SpectraBase Compound ID EOJ7saOcxJ7
InChI InChI=1S/C26H48O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h22-24H,4-21H2,1-3H3
InChIKey KZPOMCBWKTVKCL-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17Wp7aJ8PBf
Name 1,2-Cyclohexanedicarboxylic acid, decyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h22-24H,4-21H2,1-3H3
InChIKey KZPOMCBWKTVKCL-UHFFFAOYSA-N
Molecular Weight 424.666 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCC)=O)(=O)OCC(CCCC)CC