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

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4-CYANO-1,3-DIHYDRO-1,3-DIAZEPIN-2-ONE
SpectraBase Compound ID 151sw3V4hzr
InChI InChI=1S/C6H5N3O/c7-4-5-2-1-3-8-6(10)9-5/h1-3H,(H2,8,9,10)
InChIKey SFXXTOMGVCAOQZ-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 EVbFyUHHXJR
Name 4-CYANO-1,3-DIHYDRO-1,3-DIAZEPIN-2-ONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N3O
InChI InChI=1S/C6H5N3O/c7-4-5-2-1-3-8-6(10)9-5/h1-3H,(H2,8,9,10)
InChIKey SFXXTOMGVCAOQZ-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 41542
Solvent DMSO-D6