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cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl octyl ester
SpectraBase Compound ID 7v8oX55BP4d
InChI InChI=1S/C26H46O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,23-24H,3-14,17-22H2,1-2H3
InChIKey GXHYAJTZVGEJQT-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIMosFFy66R
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-3-5-7-9-11-12-14-18-22-30-26(28)24-20-16-15-19-23(24)25(27)29-21-17-13-10-8-6-4-2/h15-16,23-24H,3-14,17-22H2,1-2H3
InChIKey GXHYAJTZVGEJQT-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCC)=O)C(=O)OCCCCCCCC