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(1S,5R) Methyl 1,5-dimethyl-2-oxocyclopentanecarboxylate isomer
SpectraBase Compound ID AMvP8fgzKfZ
InChI InChI=1S/C9H14O3/c1-6-4-5-7(10)9(6,2)8(11)12-3/h6H,4-5H2,1-3H3/t6-,9+/m1/s1
InChIKey GXOREOSNZGQJSC-MUWHJKNJSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID r1mpAtKIyL
Name (1S,5R) Methyl 1,5-dimethyl-2-oxocyclopentanecarboxylate isomer
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Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-6-4-5-7(10)9(6,2)8(11)12-3/h6H,4-5H2,1-3H3/t6-,9+/m1/s1
InChIKey GXOREOSNZGQJSC-MUWHJKNJSA-N
Molecular Weight 170.208 g/mol
SMILES [C@]1(C(=O)OC)(C(CC[C@]1(C)[H])=O)C
SPLASH splash10-00kf-0900000000-96ebc92d3dc679120aba
Source of Spectrum AJ-67-3097-8
Synonyms Methyl (1S,2R)-1,2-dimethyl-5-oxocyclopentanecarboxylate Methyl 1,5-dimethyl-2-oxocyclopentanecarboxylate isomer
Wiley ID 772841