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5-[2-hydroxy-1-(2-methoxy-6-methyl-phenyl)ethyl]-1-methyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-quinone

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5-[2-hydroxy-1-(2-methoxy-6-methyl-phenyl)ethyl]-1-methyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-quinone
SpectraBase Compound ID KdcfwMbqdFM
InChI InChI=1S/C15H18N4O4/c1-8-5-4-6-10(23-3)11(8)9(7-20)19-14(21)12-13(15(19)22)18(2)17-16-12/h4-6,9,12-13,20H,7H2,1-3H3
InChIKey NTOXMSAFPPDCGE-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C15H18N4O4
Exact Mass 318.132805 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kg1I7z39nx2
Name 5-[2-hydroxy-1-(2-methoxy-6-methyl-phenyl)ethyl]-1-methyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-quinone
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18N4O4
InChI InChI=1S/C15H18N4O4/c1-8-5-4-6-10(23-3)11(8)9(7-20)19-14(21)12-13(15(19)22)18(2)17-16-12/h4-6,9,12-13,20H,7H2,1-3H3
InChIKey NTOXMSAFPPDCGE-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 318.332 g/mol
Source File Reference MHKO16615