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4-(2-propynyl)-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one
SpectraBase Compound ID LUXQApsqQAJ
InChI InChI=1S/C12H8F3NOS/c1-2-5-16-9-6-8(12(13,14)15)3-4-10(9)18-7-11(16)17/h1,3-4,6H,5,7H2
InChIKey JPSIDRIFPUGYAQ-UHFFFAOYSA-N
Mol Weight 271.26 g/mol
Molecular Formula C12H8F3NOS
Exact Mass 271.02787 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6C4F0ez0GPa
Name 4-(2-PROPYNYL)-6-(TRIFLUOROMETHYL)-2H-1,4-BENZOTHIAZIN-3(4H)-ONE
Source of Sample R. N. Prasad, Abbott Laboratories, Ltd., Montreal, Canada
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8F3NOS
InChI InChI=1S/C12H8F3NOS/c1-2-5-16-9-6-8(12(13,14)15)3-4-10(9)18-7-11(16)17/h1,3-4,6H,5,7H2
InChIKey JPSIDRIFPUGYAQ-UHFFFAOYSA-N
Literature Reference JMCH 12, 290(1969)
Melting Point 71-75C
Molecular Weight 271.261993
Synonyms BENZOTHIAZIN-3/4H/-ONE, 2H-1,4-, 4- /2-PROPYNYL/-6-/TRIFLUOROMETHYL/-,
Technique CAPILLARY CELL: MELT