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3-[4-(4-Aminobenzenecarboxamido)-1-methylpyrrole-2-carboxamido]propiononitrile

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3-[4-(4-Aminobenzenecarboxamido)-1-methylpyrrole-2-carboxamido]propiononitrile
SpectraBase Compound ID BNzum6JxgSC
InChI InChI=1S/C16H17N5O2/c1-21-10-13(9-14(21)16(23)19-8-2-7-17)20-15(22)11-3-5-12(18)6-4-11/h3-6,9-10H,2,8,18H2,1H3,(H,19,23)(H,20,22)
InChIKey HGMMBHZYSAJYRP-UHFFFAOYSA-N
Mol Weight 311.34 g/mol
Molecular Formula C16H17N5O2
Exact Mass 311.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74jdCVBReYn
Name 3-[4-(4-Aminobenzenecarboxamido)-1-methylpyrrole-2-carboxamido]propiononitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.138224805 u
Formula C16H17N5O2
InChI InChI=1S/C16H17N5O2/c1-21-10-13(9-14(21)16(23)19-8-2-7-17)20-15(22)11-3-5-12(18)6-4-11/h3-6,9-10H,2,8,18H2,1H3,(H,19,23)(H,20,22)
InChIKey HGMMBHZYSAJYRP-UHFFFAOYSA-N
Molecular Weight 311.345 g/mol
SMILES C=1(N(C=C(C1)NC(C1=CC=C(C=C1)N)=O)C)C(=O)NCCC#N