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5-Hydroxy-7-oxo-3-propyl-6-aza-bicyclo[3.2.1]octane-1,2,2-tricarbonitrile
SpectraBase Compound ID Cnkt1l57egO
InChI InChI=1S/C13H14N4O2/c1-2-3-9-4-13(19)5-11(6-14,10(18)17-13)12(9,7-15)8-16/h9,19H,2-5H2,1H3,(H,17,18)
InChIKey VNMZDLQMJGAUBM-UHFFFAOYSA-N
Mol Weight 258.28 g/mol
Molecular Formula C13H14N4O2
Exact Mass 258.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C36Ky24S6aG
Name 5-Hydroxy-7-oxo-3-propyl-6-aza-bicyclo[3.2.1]octane-1,2,2-tricarbonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4O2
InChI InChI=1S/C13H14N4O2/c1-2-3-9-4-13(19)5-11(6-14,10(18)17-13)12(9,7-15)8-16/h9,19H,2-5H2,1H3,(H,17,18)
InChIKey VNMZDLQMJGAUBM-UHFFFAOYSA-N
Molecular Weight 258.281 g/mol
SMILES OC12CC(C(C(C(N2)=O)(C1)C#N)(C#N)C#N)CCC
SPLASH splash10-0007-9600000000-91b9a25cb0a326d70573
Synonyms 1-Hydroxy-6-keto-3-propyl-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile 1-Hydroxy-6-oxo-3-propyl-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile 1-Oxidanyl-6-oxidanylidene-3-propyl-7-azabicyclo[3.2.1]octane-4,4,5-tricarbonitrile
Wiley ID 1437372