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N-(3-Pyridyl)-maleamic acid
SpectraBase Compound ID 854HoBP92pE
InChI InChI=1S/C9H8N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-6H,(H,11,12)(H,13,14)/b4-3+
InChIKey DVKSJLWFAOFXDM-ONEGZZNKSA-N
Mol Weight 192.17 g/mol
Molecular Formula C9H8N2O3
Exact Mass 192.053492 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Uzny9wE1TZ
Name N-(3-Pyridyl)-maleamic acid
Comments Computed using HOSE algorithm
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Exact Mass 192.053492123 u
Formula C9H8N2O3
InChI InChI=1S/C9H8N2O3/c12-8(3-4-9(13)14)11-7-2-1-5-10-6-7/h1-6H,(H,11,12)(H,13,14)/b4-3+
InChIKey DVKSJLWFAOFXDM-ONEGZZNKSA-N
Molecular Weight 192.174 g/mol
SMILES C(\C=C\C(=O)O)(NC=1C=NC=CC1)=O