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(S) 2-(4-Bromophenyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID Ak4agJOPXoh
InChI InChI=1S/C23H20BrNO3S/c1-27-19-12-11-16(22(26)23(19)28-2)18-13-21(14-7-9-15(24)10-8-14)29-20-6-4-3-5-17(20)25-18/h3-12,21,26H,13H2,1-2H3/t21-/m0/s1
InChIKey DJSFQAPWRZGHEZ-NRFANRHFSA-N
Mol Weight 470.38 g/mol
Molecular Formula C23H20BrNO3S
Exact Mass 469.034728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yUaBkcWgGp
Name (S) 2-(4-Bromophenyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
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Formula C23H20BrNO3S
InChI InChI=1S/C23H20BrNO3S/c1-27-19-12-11-16(22(26)23(19)28-2)18-13-21(14-7-9-15(24)10-8-14)29-20-6-4-3-5-17(20)25-18/h3-12,21,26H,13H2,1-2H3/t21-/m0/s1
InChIKey DJSFQAPWRZGHEZ-NRFANRHFSA-N
Molecular Weight 470.381 g/mol
SMILES Oc1c(C2=Nc3c(cccc3)S[C@@](C2)(c2ccc(cc2)Br)[H])ccc(OC)c1OC
SPLASH splash10-00xr-2870900000-98ea64dfbcbffa80d110
Source of Spectrum Y-51-147-23
Synonyms 2-(4-Bromophenyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepine (S)-6-(2-(4-bromophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)-2,3-dimethoxyphenol
Wiley ID 1741202