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(1S,2R)-2-[(1S)-2-ketocyclohexyl]cyclopentanecarboxylic acid methyl ester
SpectraBase Compound ID KRqVl2sSiNS
InChI InChI=1S/C13H20O3/c1-16-13(15)11-7-4-6-9(11)10-5-2-3-8-12(10)14/h9-11H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKey XSUAPUCOVUSRRW-VWYCJHECSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADj0Hj8qdhz
Name (1S,2R)-2-[(1S)-2-ketocyclohexyl]cyclopentanecarboxylic acid methyl ester
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Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-16-13(15)11-7-4-6-9(11)10-5-2-3-8-12(10)14/h9-11H,2-8H2,1H3/t9-,10+,11+/m1/s1
InChIKey XSUAPUCOVUSRRW-VWYCJHECSA-N
Molecular Weight 224.300 g/mol
SMILES [C@@]1([C@@](C(=O)OC)(CCC1)[H])([C@]1(C(=O)CCCC1)[H])[H]
SPLASH splash10-0002-9100000000-ba261bc416ede6fcf608
Source of Spectrum K-126-1943-30
Synonyms (1S,2R)-2-[(1S)-2-oxocyclohexyl]-1-cyclopentanecarboxylic acid methyl ester Methyl (1S,2R)-2-[(1S)-2-oxidanylidenecyclohexyl]cyclopentane-1-carboxylate Methyl (1S,2R)-2-[(1S)-2-oxocyclohexyl]cyclopentane-1-carboxylate Methyl (1S,2R)-2-[(1S)-2-oxocyclohexyl]cyclopentanecarboxylate
Wiley ID 1225359