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

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5-CYANO-2-ISOPROPOXY-1H-1,3-DIAZEPINE
SpectraBase Compound ID IlVumGvhmrF
InChI InChI=1S/C9H11N3O/c1-7(2)13-9-11-4-3-8(5-10)6-12-9/h3-4,6-7H,1-2H3,(H,11,12)
InChIKey LJCLLZHVNZFEPG-UHFFFAOYSA-N
Mol Weight 177.21 g/mol
Molecular Formula C9H11N3O
Exact Mass 177.090212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hf0LhymngT1
Name 5-CYANO-2-ISOPROPOXY-3H-1,3-DIAZEPINE
Compound Number 13E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11N3O
InChI InChI=1S/C9H11N3O/c1-7(2)13-9-11-4-3-8(5-10)6-12-9/h3-4,6-7H,1-2H3,(H,11,12)
InChIKey LJCLLZHVNZFEPG-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 177.206 g/mol
Sample ID 41539
Solvent DMSO-D6