4H-Pyrimido[2,1-b]benzothiazolium, 2-hydroxy-1-methyl-4-oxo-3-(trifluoroacetyl)-, hydroxide, inner salt

SpectraBase Compound ID	KcRWwVngHzJ
InChI	InChI=1S/C13H7F3N2O3S/c1-17-10(20)8(9(19)13(14,15)16)11(21)18-6-4-2-3-5-7(6)22-12(17)18/h2-5H,1H3
InChIKey	XFGPCHWGBYDVGP-UHFFFAOYSA-N Google Search
Mol Weight	328.27 g/mol
Molecular Formula	C13H7F3N2O3S
Exact Mass	328.012948 g/mol

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SpectraBase Spectrum ID	BiFRrCmfkFb
Name	4H-Pyrimido[2,1-b]benzothiazolium, 2-hydroxy-1-methyl-4-oxo-3-(trifluoroacetyl)-, hydroxide, inner salt
CAS Registry Number	100645-32-7
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H7F3N2O3S
InChI	InChI=1S/C13H7F3N2O3S/c1-17-10(20)8(9(19)13(14,15)16)11(21)18-6-4-2-3-5-7(6)22-12(17)18/h2-5H,1H3
InChIKey	XFGPCHWGBYDVGP-UHFFFAOYSA-N
Molecular Weight	328.265 g/mol
SMILES	c12[n+](C(C(=C(N2C)[O-])C(C(F)(F)F)=O)=O)c2c(s1)cccc2
SPLASH	splash10-014i-9130000000-36e79eea0419bc311134
Source of Spectrum	K-118-4586-17
Synonyms	1-Methyl-2-oxo-3-(trifluoracetyl)-2H-pyrimido[2,1-b]benzothiazol-1-ium-4-olat 1-Methyl-4-oxo-3-(trifluoroacetyl)-1H,4H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-olate
Wiley ID	1325888