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1,3,3-trichloro-2-keto-cyclohexane-1-carboxylic acid methyl ester
SpectraBase Compound ID BUGNaJUgb0s
InChI InChI=1S/C8H9Cl3O3/c1-14-6(13)7(9)3-2-4-8(10,11)5(7)12/h2-4H2,1H3
InChIKey YHYHCLBAMCSVOZ-UHFFFAOYSA-N
Mol Weight 259.52 g/mol
Molecular Formula C8H9Cl3O3
Exact Mass 257.961727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnaVLiyZm2m
Name Methyl 1,3,3-trichloro-2-oxocyclohexane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9Cl3O3
InChI InChI=1S/C8H9Cl3O3/c1-14-6(13)7(9)3-2-4-8(10,11)5(7)12/h2-4H2,1H3
InChIKey YHYHCLBAMCSVOZ-UHFFFAOYSA-N
Molecular Weight 259.516 g/mol
SMILES C1(C(C(CCC1)(Cl)Cl)=O)(C(=O)OC)Cl
SPLASH splash10-00dr-3900000000-40e1e82b584afb1cebe1
Source of Spectrum KC-57-7691-5
Synonyms 1,3,3-trichloro-2-keto-cyclohexanecarboxylic acid methyl ester 1,3,3-trichloro-2-oxo-1-cyclohexanecarboxylic acid methyl ester Methyl 1,3,3-trichloro-2-oxo-cyclohexanecarboxylate Methyl 1,3,3-tris(chloranyl)-2-oxidanylidene-cyclohexane-1-carboxylate
Wiley ID 1625551