For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 2-(4-Chloro-3-methylbenzoyl)-4-(4-chloro-3-methylphenyl)-4-hydroxy-6-oxocyclohexane-1-carboxylate
SpectraBase Compound ID J7dQ44cSfuj
InChI InChI=1S/C23H22Cl2O5/c1-12-8-14(4-6-17(12)24)21(27)16-10-23(29,11-19(26)20(16)22(28)30-3)15-5-7-18(25)13(2)9-15/h4-9,16,20,29H,10-11H2,1-3H3
InChIKey OLOUKMUOJSRYFI-UHFFFAOYSA-N
Mol Weight 449.33 g/mol
Molecular Formula C23H22Cl2O5
Exact Mass 448.084429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID D4hKWi5blSI
Name Methyl 2-(4-Chloro-3-methylbenzoyl)-4-(4-chloro-3-methylphenyl)-4-hydroxy-6-oxocyclohexane-1-carboxylate
Alternate Name(s) Methyl 2-(4-chloro-3-methylbenzoyl)-4-(4-chloro-3-methylphenyl)-4-hydroxy-6-oxocyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22Cl2O5
InChI InChI=1S/C23H22Cl2O5/c1-12-8-14(4-6-17(12)24)21(27)16-10-23(29,11-19(26)20(16)22(28)30-3)15-5-7-18(25)13(2)9-15/h4-9,16,20,29H,10-11H2,1-3H3
InChIKey OLOUKMUOJSRYFI-UHFFFAOYSA-N
Molecular Weight 449.330 g/mol
SMILES OC1(CC(C(C(C(c2cc(C)c(cc2)Cl)=O)C1)C(=O)OC)=O)c1cc(C)c(cc1)Cl
SPLASH splash10-0udi-0930000000-a71d929acbfbbe1304c4
Source of Spectrum F-69-2593-12
Wiley ID 1594931