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2-{[2-(4-Iodophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide

View entire compound with spectra: 2 NMR

2-{[2-(4-Iodophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide
SpectraBase Compound ID 93DB0NN1GNJ
InChI InChI=1S/C16H17IN2O3S/c1-8-10(3)23-16(13(8)14(18)20)19-15(21)9(2)22-12-6-4-11(17)5-7-12/h4-7,9H,1-3H3,(H2,18,20)(H,19,21)
InChIKey PAQDCNQPLBAGDV-UHFFFAOYSA-N
Mol Weight 444.29 g/mol
Molecular Formula C16H17IN2O3S
Exact Mass 444.000459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39lzYcQ0EtU
Name 2-{[2-(4-Iodophenoxy)propanoyl]amino}-4,5-dimethyl-3-thiophenecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.000458586 u
Formula C16H17IN2O3S
InChI InChI=1S/C16H17IN2O3S/c1-8-10(3)23-16(13(8)14(18)20)19-15(21)9(2)22-12-6-4-11(17)5-7-12/h4-7,9H,1-3H3,(H2,18,20)(H,19,21)
InChIKey PAQDCNQPLBAGDV-UHFFFAOYSA-N
Molecular Weight 444.287 g/mol
SMILES NC(C1=C(SC(=C1C)C)NC(C(OC=1C=CC(=CC1)I)C)=O)=O