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5-[(3'-Oxo-2'-cyanobut-1'-enyl)amino]-1H-(1,3)-benzodiazole
SpectraBase Compound ID 3vZXOSPajH2
InChI InChI=1S/C12H10N4O/c1-8(17)9(5-13)6-14-10-2-3-11-12(4-10)16-7-15-11/h2-4,6-7,14H,1H3,(H,15,16)/b9-6+
InChIKey WWYYDCYYBATGFD-RMKNXTFCSA-N
Mol Weight 226.24 g/mol
Molecular Formula C12H10N4O
Exact Mass 226.085461 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9EDsN4mPpeo
Name 5-[(3'-Oxo-2'-cyanobut-1'-enyl)amino]-1H-(1,3)-benzodiazole
Alternate Name(s) (2E)-2-acetyl-3-(1H-benzimidazol-5-ylamino)-2-propenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N4O
InChI InChI=1S/C12H10N4O/c1-8(17)9(5-13)6-14-10-2-3-11-12(4-10)16-7-15-11/h2-4,6-7,14H,1H3,(H,15,16)/b9-6+
InChIKey WWYYDCYYBATGFD-RMKNXTFCSA-N
Molecular Weight 226.239 g/mol
SMILES N(\C=C/(C#N)C(=O)C)c1ccc2[nH]cnc2c1
SPLASH splash10-02c6-5950000000-438a3fdb1b15cc4fc7e5
Source of Spectrum G-57-537-0
Wiley ID 813266