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(1S,2R)-2-methyl-5-oxo-1-cyclopentanecarboxylic acid methyl ester
SpectraBase Compound ID HtfWIrLjTZc
InChI InChI=1S/C8H12O3/c1-5-3-4-6(9)7(5)8(10)11-2/h5,7H,3-4H2,1-2H3/t5-,7+/m1/s1
InChIKey SVYJAKSNXZQAQI-VDTYLAMSSA-N
Mol Weight 156.18 g/mol
Molecular Formula C8H12O3
Exact Mass 156.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cx7GQK44EO7
Name (1S,2R)-2-methyl-5-oxo-1-cyclopentanecarboxylic acid methyl ester
CAS Registry Number 80796-76-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O3
InChI InChI=1S/C8H12O3/c1-5-3-4-6(9)7(5)8(10)11-2/h5,7H,3-4H2,1-2H3/t5-,7+/m1/s1
InChIKey SVYJAKSNXZQAQI-VDTYLAMSSA-N
Molecular Weight 156.181 g/mol
SMILES [C@]1(C(=O)OC)(C(CC[C@]1(C)[H])=O)[H]
SPLASH splash10-0pdi-2900000000-724e78f6b58afc5f1475
Source of Spectrum J-47-1525-0
Synonyms (1S,5R)-2-keto-5-methyl-cyclopentanecarboxylic acid methyl ester Methyl (1S,2R)-2-methyl-5-oxidanylidene-cyclopentane-1-carboxylate Methyl (1S,2R)-2-methyl-5-oxo-cyclopentanecarboxylate Methyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
Wiley ID 1153388