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(S)-2,3-Dihydro-2,4-di-(4-fluorophenyl)-1,5-benzothiazepine
SpectraBase Compound ID 21CzWorWRee
InChI InChI=1S/C21H15F2NS/c22-16-9-5-14(6-10-16)19-13-21(15-7-11-17(23)12-8-15)25-20-4-2-1-3-18(20)24-19/h1-12,21H,13H2/t21-/m0/s1
InChIKey IOVQRLQTQJLFLM-NRFANRHFSA-N
Mol Weight 351.41 g/mol
Molecular Formula C21H15F2NS
Exact Mass 351.089327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8AtNnejQRxC
Name (S)-2,3-Dihydro-2,4-di-(4-fluorophenyl)-1,5-benzothiazepine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15F2NS
InChI InChI=1S/C21H15F2NS/c22-16-9-5-14(6-10-16)19-13-21(15-7-11-17(23)12-8-15)25-20-4-2-1-3-18(20)24-19/h1-12,21H,13H2/t21-/m0/s1
InChIKey IOVQRLQTQJLFLM-NRFANRHFSA-N
Instrument Name AEI MS 30
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.12.024
Molecular Weight 351.415 g/mol
SMILES c1(F)ccc(cc1)[C@]1(Sc2c(N=C(C1)c1ccc(F)cc1)cccc2)[H]
SPLASH splash10-002b-8691000000-d79b85cdfac0bab19580
Source of Spectrum AJC-10-S3256-4b
Wiley ID 1857219