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8-Methyl-7-phenyl-6-trifluoromethylbenzo[b][1,4]thiazepine
SpectraBase Compound ID IPsM003j8ll
InChI InChI=1S/C17H12F3NS/c1-11-15(12-7-3-2-4-8-12)16(17(18,19)20)22-14-10-6-5-9-13(14)21-11/h2-10H,1H3
InChIKey IKGQIXBJXBLFQL-UHFFFAOYSA-N
Mol Weight 319.35 g/mol
Molecular Formula C17H12F3NS
Exact Mass 319.064255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lj4YkeMqtu
Name 8-Methyl-7-phenyl-6-trifluoromethylbenzo[b][1,4]thiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12F3NS
InChI InChI=1S/C17H12F3NS/c1-11-15(12-7-3-2-4-8-12)16(17(18,19)20)22-14-10-6-5-9-13(14)21-11/h2-10H,1H3
InChIKey IKGQIXBJXBLFQL-UHFFFAOYSA-N
Molecular Weight 319.345 g/mol
SMILES C1(=C(C(=Nc2c(S1)cccc2)C)c1ccccc1)C(F)(F)F
SPLASH splash10-0079-0190000000-c63893a19ced9887ac6b
Source of Spectrum CV-0-246-5
Synonyms 4-Methyl-3-phenyl-2-trifluoromethylbenzo[b][1,4]thiazepine 8-Methyl-7-phenyl-6-(trifluoromethyl)-1,5-benzothiazepine
Wiley ID 872741