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2-(4-fluorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID CflmUmAMBQ3
InChI InChI=1S/C21H16FNS/c22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)23-18-8-4-5-9-20(18)24-21/h1-13,21H,14H2
InChIKey PUWCSGVVXVNRMY-UHFFFAOYSA-N
Mol Weight 333.42 g/mol
Molecular Formula C21H16FNS
Exact Mass 333.098749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IghFBc4A4Sz
Name 2-(4-fluorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16FNS
InChI InChI=1S/C21H16FNS/c22-17-12-10-16(11-13-17)21-14-19(15-6-2-1-3-7-15)23-18-8-4-5-9-20(18)24-21/h1-13,21H,14H2
InChIKey PUWCSGVVXVNRMY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1905
Molecular Weight 333.424 g/mol
SMILES c12N=C(CC(Sc2cccc1)c1ccc(cc1)F)c1ccccc1
SPLASH splash10-08fr-0394000000-4ba9ed92313b66cde507
Source of Spectrum RCM-19-1201-2
Synonyms 2-(4-fluorophenyl)-4-phenyl-2,3-dihydrobenzo[b][1,4]thiazepine
Wiley ID 1820291