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4-(1-Chlorodifluoromethyl)pyrimido[2,1-b]benzothiazole-2-one
SpectraBase Compound ID I984qQnZOpZ
InChI InChI=1S/C11H5ClF2N2OS/c12-11(13,14)8-5-9(17)16-6-3-1-2-4-7(6)18-10(16)15-8/h1-5H
InChIKey YXVMFAWZUDGTDT-UHFFFAOYSA-N
Mol Weight 286.68 g/mol
Molecular Formula C11H5ClF2N2OS
Exact Mass 285.977918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6LZMZxZWaDJ
Name 4-(1-Chlorodifluoromethyl)pyrimido[2,1-b]benzothiazole-2-one
Alternate Name(s) 2-(Chloro-difluoro-methyl)-9-thia-1,4a-diaza-fluoren-4-one 4-[chloro(difluoro)methyl]-2H-pyrimido[2,1-b][1,3]benzothiazol-2-one 2-[chloro(difluoro)methyl]-4-pyrimido[2,1-b][1,3]benzothiazolone 2-[chloranyl-bis(fluoranyl)methyl]pyrimido[2,1-b][1,3]benzothiazol-4-one
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Formula C11H5ClF2N2OS
InChI InChI=1S/C11H5ClF2N2OS/c12-11(13,14)8-5-9(17)16-6-3-1-2-4-7(6)18-10(16)15-8/h1-5H
InChIKey YXVMFAWZUDGTDT-UHFFFAOYSA-N
Molecular Weight 286.684 g/mol
SMILES C1=2N(C(C=C(N2)C(Cl)(F)F)=O)c2c(S1)cccc2
SPLASH splash10-0079-0090000000-d361cafc84ad95a06eda
Source of Spectrum KC-0-986-8
Wiley ID 787814