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XWMLYLNYXALDJW-UHFFFAOYSA-N
SpectraBase Compound ID FnCdmvgIie9
InChI InChI=1S/C9H8N4O/c1-4-5(2-10)7(12)8(13)9(14)6(4)3-11/h14H,12-13H2,1H3
InChIKey XWMLYLNYXALDJW-UHFFFAOYSA-N
Mol Weight 188.19 g/mol
Molecular Formula C9H8N4O
Exact Mass 188.069811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4lMpFtFmLh
Name 4,5-DIAMINO-6-HYDROXY-2-METHYL-ISOPHTHALONITRILE
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N4O
InChI InChI=1S/C9H8N4O/c1-4-5(2-10)7(12)8(13)9(14)6(4)3-11/h14H,12-13H2,1H3
InChIKey XWMLYLNYXALDJW-UHFFFAOYSA-N
Literature Reference Author K.GEWALD,M.REHWALD,K.ECKERT,H.SCHAEFER,M.GRUNER
Literature Reference Citation MH.CHEM.,126,711(1995)
Literature Reference DOI 10.1007/BF00807162
Molecular Weight 188.189 g/mol
Solvent DMSO-D6
Source File Reference UWPB12