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2-TRIFLUOROACETAMINO-8-CHLORO-4-METHYL-4H-1,3,4-OXADIAZINO-[5,6-B]-QUINOXALINE
SpectraBase Compound ID GSbgNTblBqU
InChI InChI=1S/C12H7ClF3N5O2/c1-21-8-9(18-7-4-5(13)2-3-6(7)17-8)23-11(20-21)19-10(22)12(14,15)16/h2-4H,1H3,(H,19,20,22)
InChIKey PVNZZQZSQDRDBE-UHFFFAOYSA-N
Mol Weight 345.67 g/mol
Molecular Formula C12H7ClF3N5O2
Exact Mass 345.024037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhVMLZxgXld
Name 2-TRIFLUOROACETAMINO-8-CHLORO-4-METHYL-4H-1,3,4-OXADIAZINO-[5,6-B]-QUINOXALINE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H7ClF3N5O2
InChI InChI=1S/C12H7ClF3N5O2/c1-21-8-9(18-7-4-5(13)2-3-6(7)17-8)23-11(20-21)19-10(22)12(14,15)16/h2-4H,1H3,(H,19,20,22)
InChIKey PVNZZQZSQDRDBE-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 345.668 g/mol
Solvent TFA-D1
Source File Reference UWCS25149