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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl heptyl ester

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl heptyl ester
SpectraBase Compound ID AxlElpFCJSB
InChI InChI=1S/C22H29ClO4/c1-3-4-5-6-9-14-26-21(24)18-10-7-8-11-19(18)22(25)27-17-12-13-20(23)16(2)15-17/h7-8,12-13,15,18-19H,3-6,9-11,14H2,1-2H3
InChIKey KDFROPAKHRGPHZ-UHFFFAOYSA-N
Mol Weight 392.92 g/mol
Molecular Formula C22H29ClO4
Exact Mass 392.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgALElygwcJ
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.175437110 u
Formula C22H29ClO4
InChI InChI=1S/C22H29ClO4/c1-3-4-5-6-9-14-26-21(24)18-10-7-8-11-19(18)22(25)27-17-12-13-20(23)16(2)15-17/h7-8,12-13,15,18-19H,3-6,9-11,14H2,1-2H3
InChIKey KDFROPAKHRGPHZ-UHFFFAOYSA-N
Molecular Weight 392.923 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl