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(2S,6S,2'S)-Tetrahydro-2-propan-2'-ol-3-carboxyethyl-6-methyl-4H-pyran-4-one
SpectraBase Compound ID FqTjlAqK58P
InChI InChI=1S/C12H20O5/c1-4-16-12(15)11-9(14)6-8(3)17-10(11)5-7(2)13/h7-8,10-11,13H,4-6H2,1-3H3/t7-,8-,10+,11?/m0/s1
InChIKey MPMDPNDCYYSREB-BOHJHQFJSA-N
Mol Weight 244.29 g/mol
Molecular Formula C12H20O5
Exact Mass 244.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1rgiC7qoj2
Name (2S,6S,2'S)-Tetrahydro-2-propan-2'-ol-3-carboxyethyl-6-methyl-4H-pyran-4-one
Alternate Name(s) (2R,6S)-2-[(2S)-2-hydroxypropyl]-6-methyl-4-oxo-3-oxanecarboxylic acid ethyl ester Ethyl (2R,6S)-2-[(2S)-2-hydroxypropyl]-6-methyl-4-oxooxane-3-carboxylate Ethyl (2R,6S)-2-[(2S)-2-hydroxypropyl]-6-methyl-4-oxo-tetrahydropyran-3-carboxylate Ethyl (2R,6S)-6-methyl-4-oxidanylidene-2-[(2S)-2-oxidanylpropyl]oxane-3-carboxylate
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Formula C12H20O5
InChI InChI=1S/C12H20O5/c1-4-16-12(15)11-9(14)6-8(3)17-10(11)5-7(2)13/h7-8,10-11,13H,4-6H2,1-3H3/t7-,8-,10+,11?/m0/s1
InChIKey MPMDPNDCYYSREB-BOHJHQFJSA-N
Molecular Weight 244.287 g/mol
SMILES O[C@](C[C@@]1(C(C(C[C@](C)(O1)[H])=O)C(=O)OCC)[H])(C)[H]
SPLASH splash10-000i-0900000000-ce639d2f749be9c0e902
Source of Spectrum F-51-8990-12
Wiley ID 793112