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(2E)-4-[5-(2-furyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxo-2-butenoic acid
SpectraBase Compound ID KYoFrNgEYFH
InChI InChI=1S/C15H12N2O4S/c18-14(5-6-15(19)20)17-11(12-3-1-7-21-12)9-10(16-17)13-4-2-8-22-13/h1-8,11H,9H2,(H,19,20)/b6-5+
InChIKey ZTCZGEQIGMDKOG-AATRIKPKSA-N
Mol Weight 316.33 g/mol
Molecular Formula C15H12N2O4S
Exact Mass 316.051778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7BQ187Etv0T
Name (2E)-4-[5-(2-Furyl)-3-(2-thienyl)-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 316.051778044 u
Formula C15H12N2O4S
InChI InChI=1S/C15H12N2O4S/c18-14(5-6-15(19)20)17-11(12-3-1-7-21-12)9-10(16-17)13-4-2-8-22-13/h1-8,11H,9H2,(H,19,20)/b6-5+
InChIKey ZTCZGEQIGMDKOG-AATRIKPKSA-N
Molecular Weight 316.331 g/mol
SMILES OC(\C=C\C(N1N=C(C=2SC=CC2)CC1C=1OC=CC1)=O)=O