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2-ETHOXYCARBONYLAMINO-8-CHLORO-4-METHYL-4H-1,3,4-OXADIAZINO-[5,6-B]-QUINOXALINE
SpectraBase Compound ID 8LyCLczPHGN
InChI InChI=1S/C13H12ClN5O3/c1-3-21-13(20)17-12-18-19(2)10-11(22-12)16-9-6-7(14)4-5-8(9)15-10/h4-6H,3H2,1-2H3,(H,17,18,20)
InChIKey QBIXNURNVGKQGW-UHFFFAOYSA-N
Mol Weight 321.72 g/mol
Molecular Formula C13H12ClN5O3
Exact Mass 321.062867 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ptKc5btwcU
Name 2-ETHOXYCARBONYLAMINO-8-CHLORO-4-METHYL-4H-1,3,4-OXADIAZINO-[5,6-B]-QUINOXALINE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12ClN5O3
InChI InChI=1S/C13H12ClN5O3/c1-3-21-13(20)17-12-18-19(2)10-11(22-12)16-9-6-7(14)4-5-8(9)15-10/h4-6H,3H2,1-2H3,(H,17,18,20)
InChIKey QBIXNURNVGKQGW-UHFFFAOYSA-N
Literature Reference Author Y.KURASAWA,T.MITOMI,Y.OKAMOTO,H.S.KIM
Literature Reference Citation J.HETCYCL.CHEM.,35,1333(1998)
Literature Reference DOI 10.1002/jhet.5570350617
Molecular Weight 321.723 g/mol
Solvent DMSO-D6
Source File Reference UWCS25144