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5-CYANO-2-ETHOXY-1H-1,3-DIAZEPINE

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5-CYANO-2-ETHOXY-1H-1,3-DIAZEPINE
SpectraBase Compound ID HJJW0uYHzGW
InChI InChI=1S/C8H9N3O/c1-2-12-8-10-4-3-7(5-9)6-11-8/h3-4,6H,2H2,1H3,(H,10,11)
InChIKey VPGFMPBBWQXXHT-UHFFFAOYSA-N
Mol Weight 163.18 g/mol
Molecular Formula C8H9N3O
Exact Mass 163.074562 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hs9CeAEdUrU
Name 5-CYANO-2-ETHOXY-3H-1,3-DIAZEPINE
Compound Number 13D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N3O
InChI InChI=1S/C8H9N3O/c1-2-12-8-10-4-3-7(5-9)6-11-8/h3-4,6H,2H2,1H3,(H,10,11)
InChIKey VPGFMPBBWQXXHT-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 163.179 g/mol
Sample ID 41537
Solvent CDCl3