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(3R*,5S*,6S*)-6-[(1S*)-1-(Hydroxymethyl)ethyl]-3,4,5,6-tetrahydro-3,5-dimethylpyran-2-one
SpectraBase Compound ID 8dIQfI5vGNM
InChI InChI=1S/C10H18O3/c1-6-4-7(2)10(12)13-9(6)8(3)5-11/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKey WZOKEHJNDMTROH-KZVJFYERSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TsbL21Hr2L
Name (3R*,5S*,6S*)-6-[(1S*)-1-(Hydroxymethyl)ethyl]-3,4,5,6-tetrahydro-3,5-dimethylpyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-6-4-7(2)10(12)13-9(6)8(3)5-11/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKey WZOKEHJNDMTROH-KZVJFYERSA-N
Molecular Weight 186.251 g/mol
SMILES OC[C@@]([C@]1(OC([C@](C)(C[C@@]1(C)[H])[H])=O)[H])(C)[H]
SPLASH splash10-0a6r-9700000000-aefe45d4c0084009999f
Source of Spectrum KC-0-2661-0
Synonyms (3R,5S,6S)-6-[(1S)-2-hydroxy-1-methylethyl]-3,5-dimethyltetrahydro-2H-pyran-2-one (3R,5S,6S)-6-[(2S)-1-hydroxypropan-2-yl]-3,5-dimethyl-2-oxanone (3R,5S,6S)-6-[(2S)-1-hydroxypropan-2-yl]-3,5-dimethyloxan-2-one (3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-oxidanylpropan-2-yl]oxan-2-one
Wiley ID 826138