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2H-Pyran-2-acetic acid, tetrahydro-6-methyl-4-oxo-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID 5S2VCrXBltZ
InChI InChI=1S/C9H14O4/c1-6-3-7(10)4-8(13-6)5-9(11)12-2/h6,8H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKey MWPGOBPTJOCNRE-HTRCEHHLSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FH7NGWkC5Mb
Name 2H-Pyran-2-acetic acid, tetrahydro-6-methyl-4-oxo-, methyl ester, cis-(.+-.)-
CAS Registry Number 111922-57-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-6-3-7(10)4-8(13-6)5-9(11)12-2/h6,8H,3-5H2,1-2H3/t6-,8-/m1/s1
InChIKey MWPGOBPTJOCNRE-HTRCEHHLSA-N
Molecular Weight 186.207 g/mol
SMILES [C@]1(CC(=O)OC)(O[C@](C)(CC(C1)=O)[H])[H]
SPLASH splash10-01vo-9500000000-593db36beabf00ffe3e6
Source of Spectrum H-70-400-7
Synonyms (+-)-Methyl (cis-6-methyl-4-oxotetrahydropyran-2-yl)acetate Methyl[(2R,6R)-6-methyl-4-oxotetrahydro-2H-pyran-2-yl]acetate
Wiley ID 1182533