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(3R)-3-[(1S)-2-chloro-1-methoxy-ethyl]-2-keto-cyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID KyPnzfVAdhx
InChI InChI=1S/C12H19ClO4/c1-3-17-12(15)9-6-4-5-8(11(9)14)10(7-13)16-2/h8-10H,3-7H2,1-2H3/t8-,9?,10-/m1/s1
InChIKey SDCCNFXKCGVKBZ-RCAUJQPQSA-N
Mol Weight 262.73 g/mol
Molecular Formula C12H19ClO4
Exact Mass 262.097187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fn2eRGtTM0D
Name (3R)-3-[(1S)-2-chloro-1-methoxy-ethyl]-2-keto-cyclohexanecarboxylic acid ethyl ester
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Formula C12H19ClO4
InChI InChI=1S/C12H19ClO4/c1-3-17-12(15)9-6-4-5-8(11(9)14)10(7-13)16-2/h8-10H,3-7H2,1-2H3/t8-,9?,10-/m1/s1
InChIKey SDCCNFXKCGVKBZ-RCAUJQPQSA-N
Molecular Weight 262.733 g/mol
SMILES C1(C(C(=O)OCC)CCC[C@@]1([C@](OC)(CCl)[H])[H])=O
SPLASH splash10-03e9-0090000000-8e8e0fbbb1387c62a62c
Source of Spectrum H-2005-2081-3
Synonyms (3R)-3-[(1S)-2-chloro-1-methoxyethyl]-2-oxo-1-cyclohexanecarboxylic acid ethyl ester Ethyl (3R)-3-[(1S)-2-chloranyl-1-methoxy-ethyl]-2-oxidanylidene-cyclohexane-1-carboxylate Ethyl (3R)-3-[(1S)-2-chloro-1-methoxy-ethyl]-2-oxo-cyclohexanecarboxylate Ethyl (3R)-3-[(1S)-2-chloro-1-methoxyethyl]-2-oxocyclohexane-1-carboxylate
Wiley ID 1562774