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

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 3-methylbutyl ester
SpectraBase Compound ID 6A7cnib4ST8
InChI InChI=1S/C25H44O4/c1-4-5-6-7-8-9-10-11-12-15-19-28-24(26)22-16-13-14-17-23(22)25(27)29-20-18-21(2)3/h13-14,21-23H,4-12,15-20H2,1-3H3
InChIKey JRNJKUJLVZLUOG-UHFFFAOYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C25H44O4
Exact Mass 408.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ibxdk8Xwphy
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, dodecyl 3-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.323959893 u
Formula C25H44O4
InChI InChI=1S/C25H44O4/c1-4-5-6-7-8-9-10-11-12-15-19-28-24(26)22-16-13-14-17-23(22)25(27)29-20-18-21(2)3/h13-14,21-23H,4-12,15-20H2,1-3H3
InChIKey JRNJKUJLVZLUOG-UHFFFAOYSA-N
Molecular Weight 408.623 g/mol
SMILES C=1CC(C(CC1)C(OCCC(C)C)=O)C(=O)OCCCCCCCCCCCC