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3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylthio]propanoic acid
SpectraBase Compound ID IizkEd1Ruqf
InChI InChI=1S/C10H12O6S/c1-10(2)15-8(13)6(9(14)16-10)5-17-4-3-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey YBHMZAAPONWWGA-UHFFFAOYSA-N
Mol Weight 260.26 g/mol
Molecular Formula C10H12O6S
Exact Mass 260.035459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVWejff2a9i
Name 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylthio]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O6S
InChI InChI=1S/C10H12O6S/c1-10(2)15-8(13)6(9(14)16-10)5-17-4-3-7(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey YBHMZAAPONWWGA-UHFFFAOYSA-N
Molecular Weight 260.260 g/mol
SMILES OC(CCSC=C1C(OC(OC1=O)(C)C)=O)=O
SPLASH splash10-0pc9-8930000000-c9f0f3843a3d0f31161f
Source of Spectrum KC-0-1212-16
Synonyms 3-[(4,6-diketo-2,2-dimethyl-1,3-dioxan-5-ylidene)methylthio]propionic acid 3-[[2,2-dimethyl-4,6-bis(oxidanylidene)-1,3-dioxan-5-ylidene]methylsulfanyl]propanoic acid
Wiley ID 783728