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TRANS-3-[N(3)-METHYLUREIDO]-ACRYLONITRILE

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TRANS-3-[N(3)-METHYLUREIDO]-ACRYLONITRILE
SpectraBase Compound ID 9WzMp66UMNP
InChI InChI=1S/C5H7N3O/c1-7-5(9)8-4-2-3-6/h2,4H,1H3,(H2,7,8,9)/b4-2+
InChIKey BPENPWWYGQBKMT-DUXPYHPUSA-N
Mol Weight 125.13 g/mol
Molecular Formula C5H7N3O
Exact Mass 125.058912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FymX5C8DUCS
Name TRANS-3-[N(3)-METHYLUREIDO]-ACRYLONITRILE
Compound Number I IIB
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H7N3O
InChI InChI=1S/C5H7N3O/c1-7-5(9)8-4-2-3-6/h2,4H,1H3,(H2,7,8,9)/b4-2+
InChIKey BPENPWWYGQBKMT-DUXPYHPUSA-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 125.130 g/mol
Solvent ACETONE-D6
Source File Reference UWSI1041