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1H-Pyrrole-2-carboxamide, N-[3-[2-(acetylamino)-1H-imidazol-4-yl]-2-propenyl]-4,5-dibromo-, (E)-
SpectraBase Compound ID Jta0orSmnu3
InChI InChI=1S/C13H13Br2N5O2/c1-7(21)18-13-17-6-8(19-13)3-2-4-16-12(22)10-5-9(14)11(15)20-10/h2-3,5-6,20H,4H2,1H3,(H,16,22)(H2,17,18,19,21)/b3-2+
InChIKey JMZOCQSQSYZQJC-NSCUHMNNSA-N
Mol Weight 431.09 g/mol
Molecular Formula C13H13Br2N5O2
Exact Mass 428.943601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RdsvUvuMdv
Name 1H-Pyrrole-2-carboxamide, N-[3-[2-(acetylamino)-1H-imidazol-4-yl]-2-propenyl]-4,5-dibromo-, (E)-
Alternate Name(s) 1-(4,5-Dibromopyrrole)-2-aza-5(4')-(2'-N-acetylamino-imodazole)-4-penten-1-one 17-N-acetyl-oroidine N-acetyloroidine N-{(2E)-3-[2-(acetylamino)-1H-imidazol-4-yl]-2-propenyl}-4,5-dibromo-1H-pyrrole-2-carboxamide
CAS Registry Number 101481-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13Br2N5O2
InChI InChI=1S/C13H13Br2N5O2/c1-7(21)18-13-17-6-8(19-13)3-2-4-16-12(22)10-5-9(14)11(15)20-10/h2-3,5-6,20H,4H2,1H3,(H,16,22)(H2,17,18,19,21)/b3-2+
InChIKey JMZOCQSQSYZQJC-NSCUHMNNSA-N
Molecular Weight 431.088 g/mol
SMILES [nH]1c(c(cc1C(=O)NC\C=C\c1c[nH]c(n1)NC(=O)C)Br)Br
SPLASH splash10-004l-9020200000-4af7f86195449e2133e3
Source of Spectrum F-41-6032-19
Wiley ID 1381077