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6-Acetyl-2,2-dimethyl-3,4-dihydro-4-trifluoroacetyl-2H-1,4-benzothiazine
SpectraBase Compound ID 3Lx6uj9HSoU
InChI InChI=1S/C14H14F3NO2S/c1-8(19)9-4-5-11-10(6-9)18(7-13(2,3)21-11)12(20)14(15,16)17/h4-6H,7H2,1-3H3
InChIKey SOMSELRZIGYBAC-UHFFFAOYSA-N
Mol Weight 317.33 g/mol
Molecular Formula C14H14F3NO2S
Exact Mass 317.069734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gHyU4x7Har
Name 6-Acetyl-2,2-dimethyl-3,4-dihydro-4-trifluoroacetyl-2H-1,4-benzothiazine
Appearance White solid
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Formula C14H14F3NO2S
InChI InChI=1S/C14H14F3NO2S/c1-8(19)9-4-5-11-10(6-9)18(7-13(2,3)21-11)12(20)14(15,16)17/h4-6H,7H2,1-3H3
InChIKey SOMSELRZIGYBAC-UHFFFAOYSA-N
Instrument Name HP 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/jm400435a
Molecular Weight 317.326 g/mol
SMILES c1(ccc2SC(C)(CN(c2c1)C(C(F)(F)F)=O)C)C(C)=O
SPLASH splash10-014i-0049000000-034b0382fb78ce99c9be
Source of Spectrum AF-56-4725-27
Wiley ID 1854545