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(1S,2R)-2-[(1S)-2-keto-1-methyl-butyl]cyclopentanecarboxylic acid methyl ester
SpectraBase Compound ID DAiTIXVmCQM
InChI InChI=1S/C12H20O3/c1-4-11(13)8(2)9-6-5-7-10(9)12(14)15-3/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKey QUMMFQTXOBXWQV-AEJSXWLSSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsjksiUD3wJ
Name (+)-(1S,2R,1'S)-2-(1-methyl-2-oxobutyl)cyclopentanecarboxylicacid-methylester
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Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-4-11(13)8(2)9-6-5-7-10(9)12(14)15-3/h8-10H,4-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKey QUMMFQTXOBXWQV-AEJSXWLSSA-N
Literature Reference DOI 10.1002/cber.19931260825
Molecular Weight 212.289 g/mol
SMILES C1[C@@]([C@](CC1)([C@@](C(=O)CC)(C)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0a4s-9200000000-277a8fa8b67581e18428
Source of Spectrum K-126-1942-30a
Synonyms Methyl (1S,2R)-2-((S)-3-oxopentan-2-yl)cyclopentane-1-carboxylate
Wiley ID 1793106