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cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-methylpent-3-yl ester
SpectraBase Compound ID FULNBaBfOFk
InChI InChI=1S/C26H46O4/c1-5-7-8-9-10-11-12-13-14-17-20-29-25(27)22-18-15-16-19-23(22)26(28)30-24(6-2)21(3)4/h15-16,21-24H,5-14,17-20H2,1-4H3
InChIKey GYYQYKSPVQHJTI-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 9nawlmQR94m
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 2-methylpent-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-5-7-8-9-10-11-12-13-14-17-20-29-25(27)22-18-15-16-19-23(22)26(28)30-24(6-2)21(3)4/h15-16,21-24H,5-14,17-20H2,1-4H3
InChIKey GYYQYKSPVQHJTI-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCCCCC