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(S) 4-(4-Chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID 8ls1iCN8Va0
InChI InChI=1S/C22H18ClNOS/c1-25-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)24-19-4-2-3-5-21(19)26-22/h2-13,22H,14H2,1H3/t22-/m0/s1
InChIKey CNJUEPFUJHNSEC-QFIPXVFZSA-N
Mol Weight 379.91 g/mol
Molecular Formula C22H18ClNOS
Exact Mass 379.079763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3teibvwdU
Name (S) 4-(4-Chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine
Alternate Name(s) 4-(4-Chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepine (S)-4-(4-chlorophenyl)-2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]thiazepine
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Formula C22H18ClNOS
InChI InChI=1S/C22H18ClNOS/c1-25-18-12-8-16(9-13-18)22-14-20(15-6-10-17(23)11-7-15)24-19-4-2-3-5-21(19)26-22/h2-13,22H,14H2,1H3/t22-/m0/s1
InChIKey CNJUEPFUJHNSEC-QFIPXVFZSA-N
Molecular Weight 379.905 g/mol
SMILES C1(=Nc2c(S[C@@](C1)(c1ccc(cc1)OC)[H])cccc2)c1ccc(cc1)Cl
SPLASH splash10-0fba-1954000000-e5fc091a39503b45c43f
Source of Spectrum Y-51-145-4
Wiley ID 1741211