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2,2a,3,4-Tetrahydro-2-benzyloxy-2a-methylthio-1H-azeto[2,1-d][1,5]benzothiazepin-1-one
SpectraBase Compound ID G26oeMhBcYD
InChI InChI=1S/C19H19NO2S2/c1-23-19-11-12-24-16-10-6-5-9-15(16)20(19)18(21)17(19)22-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKey RQDZBKBTNFQQJH-UHFFFAOYSA-N
Mol Weight 357.49 g/mol
Molecular Formula C19H19NO2S2
Exact Mass 357.085721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLSxzeBSpwk
Name 2,2a,3,4-Tetrahydro-2-benzyloxy-2a-methylthio-1H-azeto[2,1-d][1,5]benzothiazepin-1-one
Alternate Name(s) 2-(benzyloxy)-2a-(methylsulfanyl)-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 C19H19NO2S2
InChI InChI=1S/C19H19NO2S2/c1-23-19-11-12-24-16-10-6-5-9-15(16)20(19)18(21)17(19)22-13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3
InChIKey RQDZBKBTNFQQJH-UHFFFAOYSA-N
Molecular Weight 357.486 g/mol
SMILES C12(N(c3c(SCC2)cccc3)C(C1OCc1ccccc1)=O)SC
SPLASH splash10-01ox-9533000000-2cb13cd64243298ec3c3
Source of Spectrum Y-34-826-37
Wiley ID 1346425