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1-(4-Iodophenyl)-3-[(4-pyridinylmethyl)amino]-2,5-pyrrolidinedione
SpectraBase Compound ID 5KMQWTJGWjF
InChI InChI=1S/C16H14IN3O2/c17-12-1-3-13(4-2-12)20-15(21)9-14(16(20)22)19-10-11-5-7-18-8-6-11/h1-8,14,19H,9-10H2
InChIKey JERQJEQJTXKCNS-UHFFFAOYSA-N
Mol Weight 407.21 g/mol
Molecular Formula C16H14IN3O2
Exact Mass 407.013072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DrqhWDz3mV
Name 1-(4-Iodophenyl)-3-[(4-pyridinylmethyl)amino]-2,5-pyrrolidinedione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.013071701 u
Formula C16H14IN3O2
InChI InChI=1S/C16H14IN3O2/c17-12-1-3-13(4-2-12)20-15(21)9-14(16(20)22)19-10-11-5-7-18-8-6-11/h1-8,14,19H,9-10H2
InChIKey JERQJEQJTXKCNS-UHFFFAOYSA-N
Molecular Weight 407.211 g/mol
SMILES N(C1C(N(C(C1)=O)C=1C=CC(=CC1)I)=O)CC1=CC=NC=C1