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(S)-2-[2-(4-Chloro-phenyl)-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl]-3,5-dimethoxy-phenol

View entire compound with spectra: 1 MS (GC)

(S)-2-[2-(4-Chloro-phenyl)-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl]-3,5-dimethoxy-phenol
SpectraBase Compound ID E7q08cqpMPY
InChI InChI=1S/C23H20ClNO3S/c1-27-16-11-19(26)23(20(12-16)28-2)18-13-22(14-7-9-15(24)10-8-14)29-21-6-4-3-5-17(21)25-18/h3-12,22,26H,13H2,1-2H3/t22-/m0/s1
InChIKey MXLDABSUBZQKEU-QFIPXVFZSA-N
Mol Weight 425.93 g/mol
Molecular Formula C23H20ClNO3S
Exact Mass 425.085242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOigJSx00xc
Name (S)-2-[2-(4-Chloro-phenyl)-2,3-dihydro-benzo[b][1,4]thiazepin-4-yl]-3,5-dimethoxy-phenol
Alternate Name(s) 2-(4-Chlorophenyl)-4-(2-hydroxy-4,6-dimethoxyphenyl)-2,3-dihydro-1,5-benzodiazepine (S)-2-(2-(4-chlorophenyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)-3,5-dimethoxyphenol
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Formula C23H20ClNO3S
InChI InChI=1S/C23H20ClNO3S/c1-27-16-11-19(26)23(20(12-16)28-2)18-13-22(14-7-9-15(24)10-8-14)29-21-6-4-3-5-17(21)25-18/h3-12,22,26H,13H2,1-2H3/t22-/m0/s1
InChIKey MXLDABSUBZQKEU-QFIPXVFZSA-N
Molecular Weight 425.930 g/mol
SMILES Oc1c(C2=Nc3c(cccc3)S[C@@](C2)(c2ccc(cc2)Cl)[H])c(cc(OC)c1)OC
SPLASH splash10-0udr-3900000000-b5b1288b75f0a7cb7c53
Source of Spectrum Y-51-147-24
Wiley ID 1741201