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3-[1-Methyl-4-(4-nitrobenzenecarboxamido)pyrrole-2-carboxamido]propiononitrile
SpectraBase Compound ID 2U7PJucM4hI
InChI InChI=1S/C16H15N5O4/c1-20-10-12(9-14(20)16(23)18-8-2-7-17)19-15(22)11-3-5-13(6-4-11)21(24)25/h3-6,9-10H,2,8H2,1H3,(H,18,23)(H,19,22)
InChIKey YOZHPURKLAOKQH-UHFFFAOYSA-N
Mol Weight 341.33 g/mol
Molecular Formula C16H15N5O4
Exact Mass 341.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AaAejzZLw2
Name 3-[1-Methyl-4-(4-nitrobenzenecarboxamido)pyrrole-2-carboxamido]propiononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N5O4
InChI InChI=1S/C16H15N5O4/c1-20-10-12(9-14(20)16(23)18-8-2-7-17)19-15(22)11-3-5-13(6-4-11)21(24)25/h3-6,9-10H,2,8H2,1H3,(H,18,23)(H,19,22)
InChIKey YOZHPURKLAOKQH-UHFFFAOYSA-N
Molecular Weight 341.327 g/mol
SMILES N(C(c1ccc(N(=O)=O)cc1)=O)c1c[n](c(C(=O)NCCC#N)c1)C
SPLASH splash10-00di-0915000000-d1a6aab709e270141047
Source of Spectrum KC-0-2683-14
Synonyms N-(2-cyanoethyl)-1-methyl-4-[(4-nitrobenzoyl)amino]-1H-pyrrole-2-carboxamide
Wiley ID 780150