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(S) 2-(4-Bromophenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine

View entire compound with spectra: 1 MS (GC)

(S) 2-(4-Bromophenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID FeoFUb0TnJZ
InChI InChI=1S/C21H16BrNOS/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 NTQDAXATZDKAKS-NRFANRHFSA-N
Mol Weight 410.33 g/mol
Molecular Formula C21H16BrNOS
Exact Mass 409.013598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Em1VW6JpUHr
Name (S) 2-(4-Bromophenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Alternate Name(s) 2-(4-Bromophenyl)-4-(2-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepine (S)-2-(2-(4-bromophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenol
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Formula C21H16BrNOS
InChI InChI=1S/C21H16BrNOS/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 NTQDAXATZDKAKS-NRFANRHFSA-N
Molecular Weight 410.329 g/mol
SMILES Oc1c(C2=Nc3c(cccc3)S[C@@](C2)(c2ccc(cc2)Br)[H])cccc1
SPLASH splash10-004i-7980000000-b8f0ce574135fbef1a31
Source of Spectrum Y-51-146-9
Wiley ID 1741210