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3-[(3S,4S,5S)-4-acetyl-4-methyl-5-methylol-tetrahydrofuran-3-yl]butan-2-one
SpectraBase Compound ID FPk8G3Mc2pv
InChI InChI=1S/C12H20O4/c1-7(8(2)14)10-6-16-11(5-13)12(10,4)9(3)15/h7,10-11,13H,5-6H2,1-4H3/t7?,10-,11+,12-/m0/s1
InChIKey ZNPLWPXKDJQOHG-LSSPIMOBSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70WvJP858mH
Name 3-[(3S,4S,5S)-4-acetyl-4-methyl-5-methylol-tetrahydrofuran-3-yl]butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-7(8(2)14)10-6-16-11(5-13)12(10,4)9(3)15/h7,10-11,13H,5-6H2,1-4H3/t7?,10-,11+,12-/m0/s1
InChIKey ZNPLWPXKDJQOHG-LSSPIMOBSA-N
Molecular Weight 228.288 g/mol
SMILES OC[C@]1(OC[C@]([C@@]1(C(=O)C)C)(C(C(=O)C)C)[H])[H]
SPLASH splash10-0002-9220000000-7307e582b79fd3cbd801
Source of Spectrum F-68-4246-19
Synonyms 3-[(3S,4S,5S)-4-acetyl-5-(hydroxymethyl)-4-methyl-3-oxolanyl]-2-butanone 3-[(3S,4S,5S)-4-acetyl-5-(hydroxymethyl)-4-methyl-tetrahydrofuran-3-yl]butan-2-one 3-[(3S,4S,5S)-4-acetyl-5-(hydroxymethyl)-4-methyloxolan-3-yl]butan-2-one 3-[(3S,4S,5S)-4-ethanoyl-5-(hydroxymethyl)-4-methyl-oxolan-3-yl]butan-2-one
Wiley ID 1572530