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5-[(3'-Oxo-2'-{ethoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole
SpectraBase Compound ID JjhEfRqpjcg
InChI InChI=1S/C14H15N3O3/c1-3-20-14(19)11(9(2)18)7-15-10-4-5-12-13(6-10)17-8-16-12/h4-8,15H,3H2,1-2H3,(H,16,17)/b11-7+
InChIKey OJHXQRRYHKPCOA-YRNVUSSQSA-N
Mol Weight 273.29 g/mol
Molecular Formula C14H15N3O3
Exact Mass 273.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bA6cctYbnA
Name 5-[(3'-Oxo-2'-{ethoxycarbonyl}but-1'-enyl)amino]-1H-(1,3)-benzodiazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15N3O3
InChI InChI=1S/C14H15N3O3/c1-3-20-14(19)11(9(2)18)7-15-10-4-5-12-13(6-10)17-8-16-12/h4-8,15H,3H2,1-2H3,(H,16,17)/b11-7+
InChIKey OJHXQRRYHKPCOA-YRNVUSSQSA-N
Molecular Weight 273.292 g/mol
SMILES N(\C=C\(C(=O)OCC)C(=O)C)c1ccc2[nH]cnc2c1
SPLASH splash10-053v-3920000000-cdd9356d771b4d633c90
Source of Spectrum G-57-537-0
Synonyms Ethyl (2E)-2-acetyl-3-(1H-benzimidazol-5-ylamino)-2-propenoate
Wiley ID 813264