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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYpwYM8RIfK
Name 2,3-DIHYDRO-2-(4-FLUOROPHENYL)-4-PHENYL-1,5-BENZOTHIAZEPINE
Comments 0 Et
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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
Instrument Name Jeol FX-100
Literature Reference G.TOTH, A.SZOLLOSY, L.SCHULTZ, A.LEVAI (1983) Acta Chimica Hungarica: v.112, N2,167-172.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d