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(S) 2-(4-Bromophenyl)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID 7iUJli7e2zU
InChI InChI=1S/C21H15Br2NS/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 KTRONYXGHWTVNZ-NRFANRHFSA-N
Mol Weight 473.23 g/mol
Molecular Formula C21H15Br2NS
Exact Mass 470.929197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kz4bfKkkJcE
Name (S) 2-(4-Bromophenyl)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine
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Formula C21H15Br2NS
InChI InChI=1S/C21H15Br2NS/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 KTRONYXGHWTVNZ-NRFANRHFSA-N
Molecular Weight 473.226 g/mol
SMILES C1(=Nc2c(S[C@@](C1)(c1ccc(Br)cc1)[H])cccc2)c1ccc(cc1)Br
SPLASH splash10-06ri-0690000000-172967dd1ea40d1237b5
Source of Spectrum Y-51-147-22
Synonyms 2-(4-Bromophenyl)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine (S)-2,4-bis(4-bromophenyl)-2,3-dihydrobenzo[b][1,4]thiazepine
Wiley ID 1741203