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(2S)-2-(4-fluorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID LfbveU9fOut
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/t21-/m0/s1
InChIKey PUWCSGVVXVNRMY-NRFANRHFSA-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 GwMkw14P11M
Name (2S)-2-(4-fluorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
Appearance Yellow solid
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/t21-/m0/s1
InChIKey PUWCSGVVXVNRMY-NRFANRHFSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.12.024
Molecular Weight 333.424 g/mol
SMILES c1(ccc(cc1)[C@]1(Sc2c(N=C(C1)c1ccccc1)cccc2)[H])F
SPLASH splash10-0006-1921000000-474677368891fdb79dea
Source of Spectrum AJC-10-S3257-4f
Wiley ID 1857223