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2,2a,3,4-Tetrahydro-2-phenoxy-2a-methylthio-4-phenyl-1H-azeto[2,1-d][1,5]benzothiazepin-1-one
SpectraBase Compound ID IsLVP8NT9oq
InChI InChI=1S/C24H21NO2S2/c1-28-24-16-21(17-10-4-2-5-11-17)29-20-15-9-8-14-19(20)25(24)23(26)22(24)27-18-12-6-3-7-13-18/h2-15,21-22H,16H2,1H3
InChIKey GANLUDBKGQJDIZ-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 7qwpxajEcgl
Name 2,2a,3,4-Tetrahydro-2-phenoxy-2a-methylthio-4-phenyl-1H-azeto[2,1-d][1,5]benzothiazepin-1-one
Alternate Name(s) 2a-(methylsulfanyl)-2-phenoxy-4-phenyl-2,2a,3,4-tetrahydro-1H-azeto[2,1-d][1,5]benzothiazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H21NO2S2
InChI InChI=1S/C24H21NO2S2/c1-28-24-16-21(17-10-4-2-5-11-17)29-20-15-9-8-14-19(20)25(24)23(26)22(24)27-18-12-6-3-7-13-18/h2-15,21-22H,16H2,1H3
InChIKey GANLUDBKGQJDIZ-UHFFFAOYSA-N
Molecular Weight 419.557 g/mol
SMILES C12(N(c3c(cccc3)SC(C1)c1ccccc1)C(C2Oc1ccccc1)=O)SC
SPLASH splash10-003i-3590000000-4d7b90f16ab802959f79
Source of Spectrum Y-34-827-43
Wiley ID 1377614