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2-[2,3-Dihydro-2-(4-methylphenyl)-1,5-benzothiazepin-4-yl]phenol
SpectraBase Compound ID KjTrK0eDX2
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
InChIKey JCASSNKUSMVRLK-UHFFFAOYSA-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 xNNfgriHCR
Name 2-[2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenol
Alternate Name(s) 2-(2-(p-tolyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)phenol
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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
InChIKey JCASSNKUSMVRLK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1905
Molecular Weight 345.460 g/mol
SMILES Oc1ccccc1C1=Nc2c(SC(C1)c1ccc(cc1)C)cccc2
SPLASH splash10-004i-0091000000-df3bc8879e99f32624d8
Source of Spectrum RCM-19-1201-9
Wiley ID 1820298