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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl tetradecyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl tetradecyl ester
SpectraBase Compound ID 787bkUE7TKy
InChI InChI=1S/C27H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-30-26(28)24-18-15-16-19-25(24)27(29)31-22-20-23(2)3/h15-16,23-25H,4-14,17-22H2,1-3H3
InChIKey GDPNHIIFVXUVBX-UHFFFAOYSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Q2bWksiy8I
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-methylbutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-21-30-26(28)24-18-15-16-19-25(24)27(29)31-22-20-23(2)3/h15-16,23-25H,4-14,17-22H2,1-3H3
InChIKey GDPNHIIFVXUVBX-UHFFFAOYSA-N
Molecular Weight 436.677 g/mol
SMILES C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCCCCCC