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

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EQ06AdZHxNV
Name (S) 2-(4-Bromophenyl)-4-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepine
Comments Computed using HOSE algorithm
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Exact Mass 470.929196661 u
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(=NC2=C(S[C@@](C1)(C1=CC=C(Br)C=C1)[H])C=CC=C2)C1=CC=C(C=C1)Br