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 |