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(3R*,5R*,6R*)-6-[(1S*)-1-Carboxyethyl]-3,4,5,6-tetrahydro-3,5-dimethylpyran-2-one
SpectraBase Compound ID B6VkEDpFQni
InChI InChI=1S/C10H16O4/c1-5-4-6(2)10(13)14-8(5)7(3)9(11)12/h5-8H,4H2,1-3H3,(H,11,12)/t5-,6-,7+,8-/m1/s1
InChIKey BPPNRVIGLJVOCW-OOJXKGFFSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UzulD1Oyez
Name (3R*,5R*,6R*)-6-[(1S*)-1-Carboxyethyl]-3,4,5,6-tetrahydro-3,5-dimethylpyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O4
InChI InChI=1S/C10H16O4/c1-5-4-6(2)10(13)14-8(5)7(3)9(11)12/h5-8H,4H2,1-3H3,(H,11,12)/t5-,6-,7+,8-/m1/s1
InChIKey BPPNRVIGLJVOCW-OOJXKGFFSA-N
Molecular Weight 200.234 g/mol
SMILES OC([C@]([C@@]1(OC([C@@](C[C@]1(C)[H])(C)[H])=O)[H])(C)[H])=O
SPLASH splash10-0a7j-9500000000-769aab684e7c9f2edf64
Source of Spectrum KC-0-2661-35
Synonyms (2S)-2-[(2R,3R,5R)-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]propanoic acid
Wiley ID 826135