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(S) 4-(2-Hydroxyphenyl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
SpectraBase Compound ID KYyy5FXcmJf
InChI InChI=1S/C22H19NOS/c1-15-10-12-16(13-11-15)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)25-22/h2-13,22,24H,14H2,1H3/t22-/m0/s1
InChIKey JCASSNKUSMVRLK-QFIPXVFZSA-N
Mol Weight 345.46 g/mol
Molecular Formula C22H19NOS
Exact Mass 345.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6pN35iUw29
Name (S) 4-(2-Hydroxyphenyl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
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Formula C22H19NOS
InChI InChI=1S/C22H19NOS/c1-15-10-12-16(13-11-15)22-14-19(17-6-2-4-8-20(17)24)23-18-7-3-5-9-21(18)25-22/h2-13,22,24H,14H2,1H3/t22-/m0/s1
InChIKey JCASSNKUSMVRLK-QFIPXVFZSA-N
Molecular Weight 345.460 g/mol
SMILES Oc1c(C2=Nc3c(cccc3)S[C@@](C2)(c2ccc(cc2)C)[H])cccc1
SPLASH splash10-004j-0690000000-9bef29dd021b221f3ed6
Source of Spectrum Y-51-146-10
Synonyms 4-(2-Hydroxyphenyl)-2-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine (S)-2-(2-(p-tolyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenol
Wiley ID 1741209