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cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl hexyl ester
SpectraBase Compound ID Hwy0ZguJHlB
InChI InChI=1S/C24H42O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,21-22H,3-12,15-20H2,1-2H3
InChIKey QAFVJDYSTTZYKR-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C24H42O4
Exact Mass 394.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C91xio4GH81
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 394.308309828 u
Formula C24H42O4
InChI InChI=1S/C24H42O4/c1-3-5-7-9-10-11-12-16-20-28-24(26)22-18-14-13-17-21(22)23(25)27-19-15-8-6-4-2/h13-14,21-22H,3-12,15-20H2,1-2H3
InChIKey QAFVJDYSTTZYKR-UHFFFAOYSA-N
Molecular Weight 394.596 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCC)=O)C(=O)OCCCCCCCCCC