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TRANS-3-UREIDOACRYLONITRILE

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TRANS-3-UREIDOACRYLONITRILE
SpectraBase Compound ID 2Y9QSuZy9v8
InChI InChI=1S/C4H5N3O/c5-2-1-3-7-4(6)8/h1,3H,(H3,6,7,8)/b3-1+
InChIKey OLIYIIXYQZZNPW-HNQUOIGGSA-N
Mol Weight 111.1 g/mol
Molecular Formula C4H5N3O
Exact Mass 111.043262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aj0uZFRiIEy
Name TRANS-3-UREIDOACRYLONITRILE
Compound Number IB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H5N3O
InChI InChI=1S/C4H5N3O/c5-2-1-3-7-4(6)8/h1,3H,(H3,6,7,8)/b3-1+
InChIKey OLIYIIXYQZZNPW-HNQUOIGGSA-N
Literature Reference Author A.A.SHAW,M.D.SHETLAR
Literature Reference Citation J.AM.CHEM.SOC.,112,7736(1990)
Literature Reference DOI 10.1021/ja00177a038
Molecular Weight 111.103 g/mol
Solvent ACETONE-D6
Source File Reference UWSI1035