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1-(4-Methylsulfanyl-2-phenyl-2H-1,5-benzothiazepin-5-yl)-2-phenoxy-ethanone
SpectraBase Compound ID BjcH0kq8EQT
InChI InChI=1S/C24H21NO2S2/c1-28-24-16-22(18-10-4-2-5-11-18)29-21-15-9-8-14-20(21)25(24)23(26)17-27-19-12-6-3-7-13-19/h2-16,22H,17H2,1H3
InChIKey VRKFNAFQYLFKKB-UHFFFAOYSA-N
Mol Weight 419.56 g/mol
Molecular Formula C24H21NO2S2
Exact Mass 419.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QfP7u1lh1s
Name 1-(4-Methylsulfanyl-2-phenyl-2H-1,5-benzothiazepin-5-yl)-2-phenoxy-ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21NO2S2
InChI InChI=1S/C24H21NO2S2/c1-28-24-16-22(18-10-4-2-5-11-18)29-21-15-9-8-14-20(21)25(24)23(26)17-27-19-12-6-3-7-13-19/h2-16,22H,17H2,1H3
InChIKey VRKFNAFQYLFKKB-UHFFFAOYSA-N
Molecular Weight 419.557 g/mol
SMILES C=1(N(c2c(SC(C1)c1ccccc1)cccc2)C(COc1ccccc1)=O)SC
SPLASH splash10-004r-9060000000-df5d40b254825cb13741
Source of Spectrum Y-34-827-44
Synonyms 1-[4-(methylthio)-2-phenyl-2H-1,5-benzothiazepin-5-yl]-2-phenoxy-ethanone 1-[4-(methylthio)-2-phenyl-2H-1,5-benzothiazepin-5-yl]-2-phenoxyethanone
Wiley ID 1377613