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3-METHYLTHIO-2,4-DIAZABICYCLO-[4.2.0]-OCTA-1(6),2-DIEN-5-ONE
SpectraBase Compound ID 70opFRG110F
InChI InChI=1S/C7H8N2OS/c1-11-7-8-5-3-2-4(5)6(10)9-7/h2-3H2,1H3,(H,8,9,10)
InChIKey CUVXZNRIBAJXBC-UHFFFAOYSA-N
Mol Weight 168.21 g/mol
Molecular Formula C7H8N2OS
Exact Mass 168.035734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWs1ewU3yMZ
Name 4-(methylthio)-3,5-diazabicyclo[4.2.0]octa-1(6),3-dien-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N2OS
InChI InChI=1S/C7H8N2OS/c1-11-7-8-5-3-2-4(5)6(10)9-7/h2-3H2,1H3,(H,8,9,10)
InChIKey CUVXZNRIBAJXBC-UHFFFAOYSA-N
Molecular Weight 168.214 g/mol
SMILES N1C(=NC2=C(C1=O)CC2)SC
SPLASH splash10-014i-2900000000-e405ed2a1c81b5664eb2
Source of Spectrum K1-0-2758-6
Synonyms 4-Methylsulfanyl-3,5-diazabicyclo[4.2.0]octa-1(6),3-dien-2-one
Wiley ID 1588979