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2-BENZYLOXY-2A,3,4,5-TETRAHYDRO-2A-METHYLTHIO-AZETO-[1,2-A]-[1]-BENZAZEPIN-1(2H)-ONE
SpectraBase Compound ID BMo06xJWTPi
InChI InChI=1S/C20H21NO2S/c1-24-20-13-7-11-16-10-5-6-12-17(16)21(20)19(22)18(20)23-14-15-8-3-2-4-9-15/h2-6,8-10,12,18H,7,11,13-14H2,1H3
InChIKey KLSINERVVMPZMX-UHFFFAOYSA-N
Mol Weight 339.45 g/mol
Molecular Formula C20H21NO2S
Exact Mass 339.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cnZNZDucKn
Name 2a,3,4,5-Tetrahydro-2-benzyloxy-2a-methylthioazeto[1,2-a][1]benzazepin-1(2H)-one
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Formula C20H21NO2S
InChI InChI=1S/C20H21NO2S/c1-24-20-13-7-11-16-10-5-6-12-17(16)21(20)19(22)18(20)23-14-15-8-3-2-4-9-15/h2-6,8-10,12,18H,7,11,13-14H2,1H3
InChIKey KLSINERVVMPZMX-UHFFFAOYSA-N
Molecular Weight 339.453 g/mol
SMILES C12(N(c3c(CCC2)cccc3)C(C1OCc1ccccc1)=O)SC
SPLASH splash10-0006-9210000000-a3fde15ba96d54d2b64a
Source of Spectrum Y-34-828-59
Synonyms 2-(benzyloxy)-2a-(methylsulfanyl)-2a,3,4,5-tetrahydroazeto[1,2-a][1]benzazepin-1(2H)-one
Wiley ID 1334528