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N-[4-(cyanomethyl)phenyl]-2-oxo-2-[(2E)-2-(3-pyridinylmethylene)hydrazino]acetamide
SpectraBase Compound ID JP3h8U4Nu2Z
InChI InChI=1S/C16H13N5O2/c17-8-7-12-3-5-14(6-4-12)20-15(22)16(23)21-19-11-13-2-1-9-18-10-13/h1-6,9-11H,7H2,(H,20,22)(H,21,23)/b19-11+
InChIKey YSDUBNWZWWTJRW-YBFXNURJSA-N
Mol Weight 307.31 g/mol
Molecular Formula C16H13N5O2
Exact Mass 307.106925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DskZSxOIQeW
Name N-[4-(Cyanomethyl)phenyl]-2-oxo-2-[(2E)-2-(3-pyridinylmethylene)hydrazino]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 307.106924677 u
Formula C16H13N5O2
InChI InChI=1S/C16H13N5O2/c17-8-7-12-3-5-14(6-4-12)20-15(22)16(23)21-19-11-13-2-1-9-18-10-13/h1-6,9-11H,7H2,(H,20,22)(H,21,23)/b19-11+
InChIKey YSDUBNWZWWTJRW-YBFXNURJSA-N
Molecular Weight 307.313 g/mol
SMILES N(C(C(N\N=C\C=1C=NC=CC1)=O)=O)C1=CC=C(C=C1)CC#N