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

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cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl decyl ester
SpectraBase Compound ID 1zbmWKDyhsz
InChI InChI=1S/C25H35ClO4/c1-3-4-5-6-7-8-9-12-17-29-24(27)21-13-10-11-14-22(21)25(28)30-20-15-16-23(26)19(2)18-20/h10-11,15-16,18,21-22H,3-9,12-14,17H2,1-2H3
InChIKey IOHLKWVNAHDGLC-UHFFFAOYSA-N
Mol Weight 435.0 g/mol
Molecular Formula C25H35ClO4
Exact Mass 434.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K2n5sBfgLMO
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, 4-chloro-3-methylphenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.222387303 u
Formula C25H35ClO4
InChI InChI=1S/C25H35ClO4/c1-3-4-5-6-7-8-9-12-17-29-24(27)21-13-10-11-14-22(21)25(28)30-20-15-16-23(26)19(2)18-20/h10-11,15-16,18,21-22H,3-9,12-14,17H2,1-2H3
InChIKey IOHLKWVNAHDGLC-UHFFFAOYSA-N
Molecular Weight 435.004 g/mol
SMILES C=1CC(C(CC1)C(OCCCCCCCCCC)=O)C(=O)OC=1C=CC(=C(C)C1)Cl