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Keramadine
SpectraBase Compound ID COeSZNiiQbJ
InChI InChI=1S/C12H14BrN5O/c1-18-9(7-17-12(18)14)3-2-4-15-11(19)10-5-8(13)6-16-10/h2-3,5-7,16H,4H2,1H3,(H2,14,17)(H,15,19)/b3-2-
InChIKey IHGGTFLLONNOLE-IHWYPQMZSA-N
Mol Weight 324.18 g/mol
Molecular Formula C12H14BrN5O
Exact Mass 323.038173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wnhHp8xDFe
Name Keramadine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrN5O
InChI InChI=1S/C12H14BrN5O/c1-18-9(7-17-12(18)14)3-2-4-15-11(19)10-5-8(13)6-16-10/h2-3,5-7,16H,4H2,1H3,(H2,14,17)(H,15,19)/b3-2-
InChIKey IHGGTFLLONNOLE-IHWYPQMZSA-N
Molecular Weight 324.182 g/mol
SMILES N(C(c1cc(Br)c[nH]1)=O)C\C=C/c1[n](c(nc1)N)C
SPLASH splash10-0umi-0609000000-c1a4e814f2565e01b2d2
Source of Spectrum J-65-2808-2
Synonyms N-[(Z)-3-(2-amino-3-methyl-4-imidazolyl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide N-[(Z)-3-(2-amino-3-methylimidazol-4-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide N-[(Z)-3-(2-azanyl-3-methyl-imidazol-4-yl)prop-2-enyl]-4-bromanyl-1H-pyrrole-2-carboxamide
Wiley ID 1532536