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

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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl nonyl ester
SpectraBase Compound ID Iu58N6DJUcP
InChI InChI=1S/C24H33ClO4/c1-3-4-5-6-7-8-11-16-28-23(26)20-12-9-10-13-21(20)24(27)29-19-14-15-22(25)18(2)17-19/h9-10,14-15,17,20-21H,3-8,11-13,16H2,1-2H3
InChIKey FZXYZPZKLAAQFY-UHFFFAOYSA-N
Mol Weight 421.0 g/mol
Molecular Formula C24H33ClO4
Exact Mass 420.206737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6k6CLqgKzw
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.206737239 u
Formula C24H33ClO4
InChI InChI=1S/C24H33ClO4/c1-3-4-5-6-7-8-11-16-28-23(26)20-12-9-10-13-21(20)24(27)29-19-14-15-22(25)18(2)17-19/h9-10,14-15,17,20-21H,3-8,11-13,16H2,1-2H3
InChIKey FZXYZPZKLAAQFY-UHFFFAOYSA-N
Molecular Weight 420.977 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl