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6,8A-DIHYDROXY-7-METHYL-4,5,6,7,8,8A-HEXAHYDROPYRROLO-[3.2-E]-2.1.3-BENZOXADIAZOLE
SpectraBase Compound ID 2BzTgSpFnle
InChI InChI=1S/C9H13N3O3/c1-5-4-9(13)7(12(5)14)3-2-6-8(9)11-15-10-6/h5,7,13-14H,2-4H2,1H3
InChIKey PBAFDZIDMOFPGN-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C9H13N3O3
Exact Mass 211.095691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GPX9hMxace
Name 6,8A-DIHYDROXY-7-METHYL-4,5,6,7,8,8A-HEXAHYDROPYRROLO-[3.2-E]-2.1.3-BENZOXADIAZOLE
Compound Number VIII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N3O3
InChI InChI=1S/C9H13N3O3/c1-5-4-9(13)7(12(5)14)3-2-6-8(9)11-15-10-6/h5,7,13-14H,2-4H2,1H3
InChIKey PBAFDZIDMOFPGN-UHFFFAOYSA-N
Literature Reference Author V.A.SAMSONOV,L.B.VOLODARSKII
Literature Reference Citation CHEM.HET.COMP.,34,271(1998)
Literature Reference DOI 10.1007/bf02290715
Molecular Weight 210.213 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ14496