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2H-Pyran-2-acetic acid, 6-carboxytetrahydro-.alpha.,5-dimethyl-, .alpha.-methyl ester, [2.alpha.(R*),5.beta.,6.beta.]-(.+-.)-
SpectraBase Compound ID 91N85d6SmEy
InChI InChI=1S/C11H18O5/c1-6-4-5-8(7(2)11(14)15-3)16-9(6)10(12)13/h6-9H,4-5H2,1-3H3,(H,12,13)/t6-,7?,8+,9+/m1/s1
InChIKey VYNOMBMDPHOAEM-FAZFRDGJSA-N
Mol Weight 230.26 g/mol
Molecular Formula C11H18O5
Exact Mass 230.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ie5Tnd5QYh
Name 2H-Pyran-2-acetic acid, 6-carboxytetrahydro-.alpha.,5-dimethyl-, .alpha.-methyl ester, [2.alpha.(R*),5.beta.,6.beta.]-(.+-.)-
CAS Registry Number 104531-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O5
InChI InChI=1S/C11H18O5/c1-6-4-5-8(7(2)11(14)15-3)16-9(6)10(12)13/h6-9H,4-5H2,1-3H3,(H,12,13)/t6-,7?,8+,9+/m1/s1
InChIKey VYNOMBMDPHOAEM-FAZFRDGJSA-N
Molecular Weight 230.260 g/mol
SMILES OC([C@]1(O[C@](C(C(=O)OC)C)(CC[C@]1(C)[H])[H])[H])=O
SPLASH splash10-0671-8900000000-fc7fe1bb86389490794a
Source of Spectrum I-64-807-2
Synonyms (2S,3R,6S)-6-(2-methoxy-1-methyl-2-oxoethyl)-3-methyltetrahydro-2H-pyran-2-carboxylic acid Methyl(2RS,5SR,6RS,.alpha.RS)-6-carboxy-.alpha.,5-dimethyltetrahydropyran-2-acetate
Wiley ID 1231462