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4-(1-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-methylpyrimido[2,1-b]benzothiazole-2-one
SpectraBase Compound ID CiBxcsR5r2d
InChI InChI=1S/C14H7ClF6N2OS/c1-6-2-3-8-9(4-6)25-11-22-5-7(10(24)23(8)11)12(16,17)13(18,19)14(15,20)21/h2-5H,1H3
InChIKey DCKDSKBIZBBTTO-UHFFFAOYSA-N
Mol Weight 400.73 g/mol
Molecular Formula C14H7ClF6N2OS
Exact Mass 399.987181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6K3A2kAjUi
Name 4-(1-Chloro-1,1,2,2,3,3-hexafluoropropyl)-8-methylpyrimido[2,1-b]benzothiazole-2-one
Alternate Name(s) 2-(3-Chloro-1,1,2,2,3,3-hexafluoro-propyl)-7-methyl-9-thia-1,4a-diaza-fluoren-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7ClF6N2OS
InChI InChI=1S/C14H7ClF6N2OS/c1-6-2-3-8-9(4-6)25-11-22-5-7(10(24)23(8)11)12(16,17)13(18,19)14(15,20)21/h2-5H,1H3
InChIKey DCKDSKBIZBBTTO-UHFFFAOYSA-N
Molecular Weight 400.726 g/mol
SMILES C1=2N(C(C(=CN2)C(C(C(F)(F)Cl)(F)F)(F)F)=O)c2c(S1)cc(cc2)C
SPLASH splash10-0udr-0070900000-582ba03fdaa21a8c4f27
Source of Spectrum KC-0-986-8
Wiley ID 787813