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4-[(3'-Oxo-2'-{methoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole
SpectraBase Compound ID 2TrMZCJo9Uu
InChI InChI=1S/C13H13N3O3/c1-8(17)9(13(18)19-2)6-14-10-4-3-5-11-12(10)16-7-15-11/h3-7,14H,1-2H3,(H,15,16)/b9-6+
InChIKey HKETWFAPAHKQCY-RMKNXTFCSA-N
Mol Weight 259.26 g/mol
Molecular Formula C13H13N3O3
Exact Mass 259.095691 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dv42gV8ZlV0
Name 4-[(3'-Oxo-2'-{methoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-8(17)9(13(18)19-2)6-14-10-4-3-5-11-12(10)16-7-15-11/h3-7,14H,1-2H3,(H,15,16)/b9-6+
InChIKey HKETWFAPAHKQCY-RMKNXTFCSA-N
Molecular Weight 259.265 g/mol
SMILES N(\C=C\(C(=O)OC)C(=O)C)c1c2c([nH]cn2)ccc1
SPLASH splash10-066r-1970000000-3fdf0970d426c8cb0e32
Source of Spectrum G-57-537-0
Synonyms Methyl (2E)-2-acetyl-3-(1H-benzimidazol-4-ylamino)-2-propenoate
Wiley ID 813273