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Acetic acid, [[(4-methoxy-2-oxo-2H-pyran-6-yl)methyl]thio]-
SpectraBase Compound ID C7qdpkyNnRe
InChI InChI=1S/C9H10O5S/c1-13-5-3-6(14-7(10)4-5)8(15-2)9(11)12/h3-4,8H,1-2H3,(H,11,12)
InChIKey MEUOVVZAKNCFKD-UHFFFAOYSA-N
Mol Weight 230.23 g/mol
Molecular Formula C9H10O5S
Exact Mass 230.024895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40GeN6ULO0D
Name Acetic acid, [[(4-methoxy-2-oxo-2H-pyran-6-yl)methyl]thio]-
Alternate Name(s) (4-methoxy-2-oxo-2H-pyran-6-yl)(methylsulfanyl)acetic acid 6-Carboxymethylthiomethyl-4-methoxy-2-pyrone
CAS Registry Number 126759-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O5S
InChI InChI=1S/C9H10O5S/c1-13-5-3-6(14-7(10)4-5)8(15-2)9(11)12/h3-4,8H,1-2H3,(H,11,12)
InChIKey MEUOVVZAKNCFKD-UHFFFAOYSA-N
Molecular Weight 230.234 g/mol
SMILES OC(C(C1=CC(OC)=CC(O1)=O)SC)=O
SPLASH splash10-004i-0920000000-e6cb794eda600eaf4ca3
Source of Spectrum Y-26-1210-28
Wiley ID 1231196