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4-[[2-[[(E)-3-(2-furyl)acryloyl]amino]benzoyl]amino]benzoic acid
SpectraBase Compound ID DSiyqAqr00d
InChI InChI=1S/C21H16N2O5/c24-19(12-11-16-4-3-13-28-16)23-18-6-2-1-5-17(18)20(25)22-15-9-7-14(8-10-15)21(26)27/h1-13H,(H,22,25)(H,23,24)(H,26,27)/b12-11+
InChIKey BVZHOEHHDILWQC-VAWYXSNFSA-N
Mol Weight 376.37 g/mol
Molecular Formula C21H16N2O5
Exact Mass 376.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgJgqmDZznQ
Name 4-[[2-[[(E)-3-(2-furyl)acryloyl]amino]benzoyl]amino]benzoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.105921618 u
Formula C21H16N2O5
InChI InChI=1S/C21H16N2O5/c24-19(12-11-16-4-3-13-28-16)23-18-6-2-1-5-17(18)20(25)22-15-9-7-14(8-10-15)21(26)27/h1-13H,(H,22,25)(H,23,24)(H,26,27)/b12-11+
InChIKey BVZHOEHHDILWQC-VAWYXSNFSA-N
Molecular Weight 376.368 g/mol
SMILES C(C1=C(NC(\C=C\C=2OC=CC2)=O)C=CC=C1)(NC=1C=CC(C(=O)O)=CC1)=O