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5-[(3'-Oxo-2'-{methoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole
SpectraBase Compound ID 1CQBeaNBSya
InChI InChI=1S/C13H13N3O3/c1-8(17)10(13(18)19-2)6-14-9-3-4-11-12(5-9)16-7-15-11/h3-7,14H,1-2H3,(H,15,16)/b10-6+
InChIKey XQEFXVQHDBTWSH-UXBLZVDNSA-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 3WIY3oFDana
Name 5-[(3'-Oxo-2'-{methoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole
Alternate Name(s) Methyl (2E)-2-acetyl-3-(1H-benzimidazol-5-ylamino)-2-propenoate
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Formula C13H13N3O3
InChI InChI=1S/C13H13N3O3/c1-8(17)10(13(18)19-2)6-14-9-3-4-11-12(5-9)16-7-15-11/h3-7,14H,1-2H3,(H,15,16)/b10-6+
InChIKey XQEFXVQHDBTWSH-UXBLZVDNSA-N
Molecular Weight 259.265 g/mol
SMILES N(\C=C\(C(=O)OC)C(=O)C)c1ccc2[nH]cnc2c1
SPLASH splash10-053s-1920000000-6a05bf7c99e6ee196852
Source of Spectrum G-57-537-0
Wiley ID 813265