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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LP5a7lw6vai
Name 3-METHYLTHIO-2,4-DIAZABICYCLO-[4.2.0]-OCTA-1(6),2-DIEN-5-ONE
Compound Number 6G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author S.DALAI,V.N.BELOV,S.NIZAMOV,K.RAUCH,D.KINSINGER,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,2753(2006)
Molecular Weight 168.213 g/mol
Sample ID 43738
Solvent DMSO-D6