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5A-AMINO-7-METHYL-8A-HYDROXY-4,5,5A,8A-TETRAHYDRO-8-H-PYRROLO-[2.3-E]-BENZOFURAZAN-3,6-DIOXIDE
SpectraBase Compound ID 6r3uaSlacJC
InChI InChI=1S/C9H12N4O4/c1-5-4-8(14)7-6(13(16)17-11-7)2-3-9(8,10)12(5)15/h14H,2-4,10H2,1H3
InChIKey WALVBICTBBHOJN-UHFFFAOYSA-N
Mol Weight 240.22 g/mol
Molecular Formula C9H12N4O4
Exact Mass 240.085855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GeZhBsGhSCo
Name 5A-AMINO-7-METHYL-8A-HYDROXY-4,5,5A,8A-TETRAHYDRO-8-H-PYRROLO-[2.3-E]-BENZOFURAZAN-3,6-DIOXIDE
Compound Number I V-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N4O4
InChI InChI=1S/C9H12N4O4/c1-5-4-8(14)7-6(13(16)17-11-7)2-3-9(8,10)12(5)15/h14H,2-4,10H2,1H3
InChIKey WALVBICTBBHOJN-UHFFFAOYSA-N
Literature Reference Author V.A.SAMSONOV,L.B.VOLODARSKII,I.Y.BAGRYANSKAYA,Y.V.GATILOV,K. E.LAKMAN
Literature Reference Citation CHEM.HET.COMP.,30,178(1994)
Literature Reference DOI 10.1007/bf01165008
Molecular Weight 240.219 g/mol
Solvent DMSO-D6
Source File Reference UWMZ12775