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5-[(3'-Oxo-2'-acetylbut-1'-enyl)amino]-1H-(1,3)-benzodiazole
SpectraBase Compound ID 5hXIC9byTml
InChI InChI=1S/C13H13N3O2/c1-8(17)11(9(2)18)6-14-10-3-4-12-13(5-10)16-7-15-12/h3-7,14H,1-2H3,(H,15,16)
InChIKey UBJITHQUWXVVAB-UHFFFAOYSA-N
Mol Weight 243.27 g/mol
Molecular Formula C13H13N3O2
Exact Mass 243.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G94ceetdx3R
Name 5-[(3'-Oxo-2'-acetylbut-1'-enyl)amino]-1H-(1,3)-benzodiazole
Alternate Name(s) 3-[(1H-benzimidazol-5-ylamino)methylene]-2,4-pentanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13N3O2
InChI InChI=1S/C13H13N3O2/c1-8(17)11(9(2)18)6-14-10-3-4-12-13(5-10)16-7-15-12/h3-7,14H,1-2H3,(H,15,16)
InChIKey UBJITHQUWXVVAB-UHFFFAOYSA-N
Molecular Weight 243.266 g/mol
SMILES N(C=C(C(=O)C)C(=O)C)c1ccc2[nH]cnc2c1
SPLASH splash10-01po-2980000000-32aa6e71df0100300402
Source of Spectrum G-57-537-0
Wiley ID 813267