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5-CYANO-2,3-DIHYDRO-1,3-DIAZEPIN-2-ONE

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5-CYANO-2,3-DIHYDRO-1,3-DIAZEPIN-2-ONE
SpectraBase Compound ID 1HUqBsROXcW
InChI InChI=1S/C6H5N3O/c7-3-5-1-2-8-6(10)9-4-5/h1-2,4H,(H2,8,9,10)
InChIKey GMNOUQNGPYPKLP-UHFFFAOYSA-N
Mol Weight 135.13 g/mol
Molecular Formula C6H5N3O
Exact Mass 135.043262 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YTZjAMKcN
Name 5-CYANO-2,3-DIHYDRO-1,3-DIAZEPIN-2-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N3O
InChI InChI=1S/C6H5N3O/c7-3-5-1-2-8-6(10)9-4-5/h1-2,4H,(H2,8,9,10)
InChIKey GMNOUQNGPYPKLP-UHFFFAOYSA-N
Literature Reference Author C.ADDICOTT,C.WENTRUP
Literature Reference Citation AUSTR.J.CHEM.,61,592(2008)
Literature Reference DOI 10.1071/ch08252
Molecular Weight 135.125 g/mol
Sample ID 41540
Solvent DMSO-D6