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2-Ethyl5,6,6a,7-tetrahydro-7-methoxy-6a-methylthio-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one
SpectraBase Compound ID 72rhQys652A
InChI InChI=1S/C13H17NO2S3/c1-4-8-7-9-12(19-8)18-6-5-13(17-3)10(16-2)11(15)14(9)13/h7,10H,4-6H2,1-3H3
InChIKey GMWMXJBGNXWCSP-UHFFFAOYSA-N
Mol Weight 315.46 g/mol
Molecular Formula C13H17NO2S3
Exact Mass 315.042142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9hxuNebZGKL
Name 2-Ethyl5,6,6a,7-tetrahydro-7-methoxy-6a-methylthio-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO2S3
InChI InChI=1S/C13H17NO2S3/c1-4-8-7-9-12(19-8)18-6-5-13(17-3)10(16-2)11(15)14(9)13/h7,10H,4-6H2,1-3H3
InChIKey GMWMXJBGNXWCSP-UHFFFAOYSA-N
Molecular Weight 315.464 g/mol
SMILES C12(N(c3c(SCC2)sc(c3)CC)C(C1OC)=O)SC
SPLASH splash10-014l-0097000000-bbd52fd0f6236720ef60
Source of Spectrum H1-38-1637-25
Synonyms 2-Ethyl-7-methoxy-6a-(methylsulfanyl)-5,6,6a,7-tetrahydro-8H-azeto[1,2-d]thieno[2,3-b][1,4]thiazepin-8-one
Wiley ID 756551