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2-[2-(2,4-Chlorophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
SpectraBase Compound ID 73BH3B4Y2rU
InChI InChI=1S/C16H16Cl2O3/c1-16(2)7-14(20)11(15(21)8-16)6-13(19)10-4-3-9(17)5-12(10)18/h3-5,11H,6-8H2,1-2H3
InChIKey IUAKVRGWGIAKLA-UHFFFAOYSA-N
Mol Weight 327.21 g/mol
Molecular Formula C16H16Cl2O3
Exact Mass 326.04765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4x3cE5CyKb6
Name 2-[2-(2,4-Chlorophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
Alternate Name(s) 2-(2-(2,4-dichlorophenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Cl2O3
InChI InChI=1S/C16H16Cl2O3/c1-16(2)7-14(20)11(15(21)8-16)6-13(19)10-4-3-9(17)5-12(10)18/h3-5,11H,6-8H2,1-2H3
InChIKey IUAKVRGWGIAKLA-UHFFFAOYSA-N
Literature Reference DOI 10.1248/cpb.c13-00003
Molecular Weight 327.207 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=O)CC(c1c(cc(cc1)Cl)Cl)=O
SPLASH splash10-0a5c-9500000000-962b5ed4fdcafc1398a3
Source of Spectrum E1-62-21-13g
Wiley ID 1743595