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2-Hydroxy-2-trifluoromethyl-(1H,5)benzothiazepine
SpectraBase Compound ID BKpJb6RdaXg
InChI InChI=1S/C10H8F3NOS/c11-10(12,13)9(15)5-6-14-7-3-1-2-4-8(7)16-9/h1-6,14-15H
InChIKey NMURAIAUZOKMAA-UHFFFAOYSA-N
Mol Weight 247.24 g/mol
Molecular Formula C10H8F3NOS
Exact Mass 247.02787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3dgSafmFGR
Name 2-Hydroxy-2-trifluoromethyl-(1H,5)benzothiazepine
Alternate Name(s) 2-(trifluoromethyl)-2,5-dihydro-1,5-benzothiazepin-2-ol 2-Hydroxy-2-trifluoromethyl-(1H,5)benzoxazepine
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Formula C10H8F3NOS
InChI InChI=1S/C10H8F3NOS/c11-10(12,13)9(15)5-6-14-7-3-1-2-4-8(7)16-9/h1-6,14-15H
InChIKey NMURAIAUZOKMAA-UHFFFAOYSA-N
Molecular Weight 247.235 g/mol
SMILES N1c2c(SC(C(F)(F)F)(C=C1)O)cccc2
SPLASH splash10-004i-0920000000-151476824ec8758dcb6b
Source of Spectrum F-53-5853-13
Wiley ID 801771