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(S) 2-(4-Chlorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(S) 2-(4-Chlorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID IuU1am080LW
InChI InChI=1S/C22H18ClNS/c1-15-6-8-16(9-7-15)20-14-22(17-10-12-18(23)13-11-17)25-21-5-3-2-4-19(21)24-20/h2-13,22H,14H2,1H3/t22-/m0/s1
InChIKey ZCKRRCTYPXGADU-QFIPXVFZSA-N
Mol Weight 363.91 g/mol
Molecular Formula C22H18ClNS
Exact Mass 363.084848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOi75tGdy58
Name (S) 2-(4-Chlorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
Comments Computed using HOSE algorithm
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Exact Mass 363.084848458 u
Formula C22H18ClNS
InChI InChI=1S/C22H18ClNS/c1-15-6-8-16(9-7-15)20-14-22(17-10-12-18(23)13-11-17)25-21-5-3-2-4-19(21)24-20/h2-13,22H,14H2,1H3/t22-/m0/s1
InChIKey ZCKRRCTYPXGADU-QFIPXVFZSA-N
Molecular Weight 363.906 g/mol
SMILES C1(=NC2=C(S[C@@](C1)(C1=CC=C(C=C1)Cl)[H])C=CC=C2)C1=CC=C(C=C1)C