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(1S,3S)-2,2,3-trimethyl-4-oxo-1-cyclopentanecarboxylic acid methyl ester
SpectraBase Compound ID BCNTZPBmOe
InChI InChI=1S/C10H16O3/c1-6-8(11)5-7(9(12)13-4)10(6,2)3/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKey YTBSDZWYYBOJEJ-RNFRBKRXSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHuYz7jPExZ
Name (1S,3S)-2,2,3-trimethyl-4-oxo-1-cyclopentanecarboxylic acid methyl ester
CAS Registry Number 127308-40-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O3
InChI InChI=1S/C10H16O3/c1-6-8(11)5-7(9(12)13-4)10(6,2)3/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChIKey YTBSDZWYYBOJEJ-RNFRBKRXSA-N
Molecular Weight 184.235 g/mol
SMILES C1([C@](CC([C@]1(C)[H])=O)(C(=O)OC)[H])(C)C
SPLASH splash10-03di-0900000000-bb63548907f32d591c33
Source of Spectrum J-55-4058-20
Synonyms (1S,3S)-4-keto-2,2,3-trimethyl-cyclopentanecarboxylic acid methyl ester Methyl (1S,3S)-2,2,3-trimethyl-4-oxidanylidene-cyclopentane-1-carboxylate Methyl (1S,3S)-2,2,3-trimethyl-4-oxo-cyclopentanecarboxylate Methyl (1S,3S)-2,2,3-trimethyl-4-oxocyclopentane-1-carboxylate
Wiley ID 1180654