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cis-Cyclohex-4-en-1,2-dicarboxylic acid, nonyl phenethyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, nonyl phenethyl ester
SpectraBase Compound ID 41Kp3WZ4fwA
InChI InChI=1S/C25H36O4/c1-2-3-4-5-6-7-13-19-28-24(26)22-16-11-12-17-23(22)25(27)29-20-18-21-14-9-8-10-15-21/h8-12,14-15,22-23H,2-7,13,16-20H2,1H3
InChIKey WQVWPIJEZPLOJW-UHFFFAOYSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KGWyzgCCfTA
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, nonyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 400.261359635 u
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-2-3-4-5-6-7-13-19-28-24(26)22-16-11-12-17-23(22)25(27)29-20-18-21-14-9-8-10-15-21/h8-12,14-15,22-23H,2-7,13,16-20H2,1H3
InChIKey WQVWPIJEZPLOJW-UHFFFAOYSA-N
Molecular Weight 400.559 g/mol
SMILES C=1CC(C(CC1)C(OCCC=1C=CC=CC1)=O)C(=O)OCCCCCCCCC