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5A,8A-DIHYDROXY-7-METHYL-4,5,5A,8A-TETRAHYDRO-8-H-PYRROLO-[3.2-E]-2.1.3-BENZOXADIAZOLE;MIXTURE
SpectraBase Compound ID 8TTdGb8tudB
InChI InChI=1S/2C9H11N3O4/c2*1-5-4-8(13)7-6(10-16-11-7)2-3-9(8,14)12(5)15/h2*13-14H,2-4H2,1H3
InChIKey RKAXOYOBPLIYGB-UHFFFAOYSA-N
Mol Weight 450.41 g/mol
Molecular Formula C18H22N6O8
Exact Mass 450.149912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUHLuMCMceJ
Name 5A,8A-DIHYDROXY-7-METHYL-4,5,5A,8A-TETRAHYDRO-8-H-PYRROLO-[3.2-E]-2.1.3-BENZOXADIAZOLE;MIXTURE
Compound Number VII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N6O8
InChI InChI=1S/2C9H11N3O4/c2*1-5-4-8(13)7-6(10-16-11-7)2-3-9(8,14)12(5)15/h2*13-14H,2-4H2,1H3
InChIKey RKAXOYOBPLIYGB-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 450.408 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ14495