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(2R,2'S)-2-Methyl-2-[2-acetoxy-2-(methoxycarbonyl)ethyl]cyclohexanone
SpectraBase Compound ID 5YjqiBEglg7
InChI InChI=1S/C13H20O5/c1-9(14)18-10(12(16)17-3)8-13(2)7-5-4-6-11(13)15/h10H,4-8H2,1-3H3/t10-,13+/m0/s1
InChIKey WXDQOFWHJBIXCU-GXFFZTMASA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uBFXT2fRNl
Name (2R,2'S)-2-Methyl-2-[2-acetoxy-2-(methoxycarbonyl)ethyl]cyclohexanone
Alternate Name(s) [S-(R*,S*)]-.alpha.-(Acetyloxy)-1-methyl-2-oxocyclohexanepropanoic acid methyl ester Methyl (2S)-2-(acetyloxy)-3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate
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Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-9(14)18-10(12(16)17-3)8-13(2)7-5-4-6-11(13)15/h10H,4-8H2,1-3H3/t10-,13+/m0/s1
InChIKey WXDQOFWHJBIXCU-GXFFZTMASA-N
Molecular Weight 256.298 g/mol
SMILES [C@]1(C[C@@](C(=O)OC)(OC(=O)C)[H])(C(=O)CCCC1)C
SPLASH splash10-03di-0900000000-58ec8e823ce806c45f83
Source of Spectrum AT-35-9708-8
Wiley ID 852997