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(S) 2-(4-Fluorophenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID 1SpDH4ybuVq
InChI InChI=1S/C21H16FNOS/c22-15-11-9-14(10-12-15)21-13-18(16-5-1-3-7-19(16)24)23-17-6-2-4-8-20(17)25-21/h1-12,21,24H,13H2/t21-/m0/s1
InChIKey WCROIGSCNRRNSN-NRFANRHFSA-N
Mol Weight 349.42 g/mol
Molecular Formula C21H16FNOS
Exact Mass 349.093663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYuso5ydmAL
Name (S) 2-(4-Fluorophenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16FNOS
InChI InChI=1S/C21H16FNOS/c22-15-11-9-14(10-12-15)21-13-18(16-5-1-3-7-19(16)24)23-17-6-2-4-8-20(17)25-21/h1-12,21,24H,13H2/t21-/m0/s1
InChIKey WCROIGSCNRRNSN-NRFANRHFSA-N
Molecular Weight 349.423 g/mol
SMILES Oc1c(C2=Nc3c(cccc3)S[C@@](C2)(c2ccc(cc2)F)[H])cccc1
SPLASH splash10-0002-0943000000-45ec1e5c34092702c32b
Source of Spectrum Y-51-146-11
Synonyms 2-(4-Fluorophenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine (S)-2-(2-(4-fluorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenol
Wiley ID 1741208