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3-(2-Cyanomethyl-4-imino-1,3-diaza-bicyclo[3.1.0]hex-3-yl)-acrylonitrile
SpectraBase Compound ID EJG2CPIMUaW
InChI InChI=1S/C9H9N5/c10-3-1-5-13-8(2-4-11)14-6-7(14)9(13)12/h1,5,7-8,12H,2,6H2/b5-1+,12-9?
InChIKey RJPDZPWCCBTSST-ABVCCXNHSA-N
Mol Weight 187.21 g/mol
Molecular Formula C9H9N5
Exact Mass 187.085795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLwGxoB3E2c
Name 3-(2-Cyanomethyl-4-imino-1,3-diaza-bicyclo[3.1.0]hex-3-yl)-acrylonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N5
InChI InChI=1S/C9H9N5/c10-3-1-5-13-8(2-4-11)14-6-7(14)9(13)12/h1,5,7-8,12H,2,6H2/b5-1+,12-9?
InChIKey RJPDZPWCCBTSST-ABVCCXNHSA-N
Molecular Weight 187.206 g/mol
SMILES N=C1C2N(C(N1\C=C\C#N)CC#N)C2
SPLASH splash10-05bf-9800000000-b590f1284983fc005e1e
Synonyms (2E)-3-[2-(Cyanomethyl)-4-imino-1,3-diazabicyclo[3.1.0]hex-3-yl]-2-propenenitrile (E)-3-[2-(cyanomethyl)-4-imino-1,3-diazabicyclo[3.1.0]hexan-3-yl]prop-2-enenitrile (E)-3-[4-(cyanomethyl)-2-imino-3,5-diazabicyclo[3.1.0]hexan-3-yl]-2-propenenitrile (E)-3-[4-(cyanomethyl)-2-imino-3,5-diazabicyclo[3.1.0]hexan-3-yl]prop-2-enenitrile (E)-3-[2-azanylidene-4-(cyanomethyl)-3,5-diazabicyclo[3.1.0]hexan-3-yl]prop-2-enenitrile
Wiley ID 1487392