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2,4-DIHYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ONE;DIBOA
SpectraBase Compound ID 8dbcqIUVaAY
InChI InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H
InChIKey COVOPZQGJGUPEY-UHFFFAOYSA-N
Mol Weight 181.15 g/mol
Molecular Formula C8H7NO4
Exact Mass 181.037508 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hg7B6YRSHVh
Name 2,4-DIHYDROXY-2H-1,4-BENZOXAZIN-3(4H)-ONE;DIBOA
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6NO4
InChI InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H
InChIKey COVOPZQGJGUPEY-UHFFFAOYSA-N
Literature Reference Author A.BAUMELER,M.HESSE,C.WERNER
Literature Reference Citation PHYTOCHEM.,53,213(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00508-7
Molecular Weight 180.140 g/mol
Solvent CD3OD
Source File Reference UWLU1621