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(2E)-4-[5-(2-furyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-2-butenoic acid
SpectraBase Compound ID 7r7nyNex4l1
InChI InChI=1S/C18H16N2O5/c1-24-13-6-4-12(5-7-13)14-11-15(16-3-2-10-25-16)20(19-14)17(21)8-9-18(22)23/h2-10,15H,11H2,1H3,(H,22,23)/b9-8+
InChIKey NQLYUAYENQNLLV-CMDGGOBGSA-N
Mol Weight 340.34 g/mol
Molecular Formula C18H16N2O5
Exact Mass 340.105922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7eqgcSwWS6
Name (2E)-4-[5-(2-Furyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-2-butenoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.105921618 u
Formula C18H16N2O5
InChI InChI=1S/C18H16N2O5/c1-24-13-6-4-12(5-7-13)14-11-15(16-3-2-10-25-16)20(19-14)17(21)8-9-18(22)23/h2-10,15H,11H2,1H3,(H,22,23)/b9-8+
InChIKey NQLYUAYENQNLLV-CMDGGOBGSA-N
Molecular Weight 340.335 g/mol
SMILES OC(\C=C\C(N1N=C(C2=CC=C(C=C2)OC)CC1C=1OC=CC1)=O)=O