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5-[chloranyl-bis(fluoranyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 7MCIcFvgred
InChI InChI=1S/C7H3ClF2N2OS/c8-7(9,10)4-3-5(13)11-6-12(4)1-2-14-6/h1-3H
InChIKey ITZMYLZNSVVQNI-UHFFFAOYSA-N
Mol Weight 236.62 g/mol
Molecular Formula C7H3ClF2N2OS
Exact Mass 235.962268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGe2ydFEPJd
Name 5-[chloranyl-bis(fluoranyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Alternate Name(s) 5-[chloro(difluoro)methyl]-7-thiazolo[3,2-a]pyrimidinone 5-[chloro(difluoro)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one 5-[chloro(difluoro)methyl]thiazolo[3,2-a]pyrimidin-7-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3ClF2N2OS
InChI InChI=1S/C7H3ClF2N2OS/c8-7(9,10)4-3-5(13)11-6-12(4)1-2-14-6/h1-3H
InChIKey ITZMYLZNSVVQNI-UHFFFAOYSA-N
Molecular Weight 236.624 g/mol
SMILES C12=NC(=O)C=C(N2C=CS1)C(F)(F)Cl
SPLASH splash10-00dr-0980000000-3c265933e15bd6c57585
Source of Spectrum KC-0-987-11
Wiley ID 787803