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

View entire compound with spectra: 1 NMR

cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 4-chloro-3-methylphenyl ester
SpectraBase Compound ID GJTQ4xvuXvR
InChI InChI=1S/C19H23ClO4/c1-3-4-11-23-18(21)15-7-5-6-8-16(15)19(22)24-14-9-10-17(20)13(2)12-14/h5-6,9-10,12,15-16H,3-4,7-8,11H2,1-2H3
InChIKey XPGLRAPDLPZHLH-UHFFFAOYSA-N
Mol Weight 350.84 g/mol
Molecular Formula C19H23ClO4
Exact Mass 350.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IU14RpdASaY
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, butyl 4-chloro-3-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.128486917 u
Formula C19H23ClO4
InChI InChI=1S/C19H23ClO4/c1-3-4-11-23-18(21)15-7-5-6-8-16(15)19(22)24-14-9-10-17(20)13(2)12-14/h5-6,9-10,12,15-16H,3-4,7-8,11H2,1-2H3
InChIKey XPGLRAPDLPZHLH-UHFFFAOYSA-N
Molecular Weight 350.842 g/mol
SMILES C=1CC(C(CC1)C(OCCCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl