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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl nonyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl nonyl ester
SpectraBase Compound ID Bw0lagc6cns
InChI InChI=1S/C23H40O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h12-13,18-21H,5-11,14-17H2,1-4H3
InChIKey KBYJXEYLFUSFEA-UHFFFAOYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7LRIlvq6qK
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 2-methylpent-3-yl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-5-7-8-9-10-11-14-17-26-22(24)19-15-12-13-16-20(19)23(25)27-21(6-2)18(3)4/h12-13,18-21H,5-11,14-17H2,1-4H3
InChIKey KBYJXEYLFUSFEA-UHFFFAOYSA-N
Molecular Weight 380.569 g/mol
SMILES C=1CC(C(CC1)C(OC(CC)C(C)C)=O)C(=O)OCCCCCCCCC