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3-[5-[(E)-(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-furyl]benzoic acid
SpectraBase Compound ID 1wJrPV7a9EL
InChI InChI=1S/C21H14N2O5/c24-19-17(20(25)23(22-19)15-7-2-1-3-8-15)12-16-9-10-18(28-16)13-5-4-6-14(11-13)21(26)27/h1-12H,(H,22,24)(H,26,27)/b17-12+
InChIKey OQHJSOSZNUBMCF-SFQUDFHCSA-N
Mol Weight 374.35 g/mol
Molecular Formula C21H14N2O5
Exact Mass 374.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbOtGNiZ4u9
Name 3-[5-[(E)-(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-furyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N2O5
InChI InChI=1S/C21H14N2O5/c24-19-17(20(25)23(22-19)15-7-2-1-3-8-15)12-16-9-10-18(28-16)13-5-4-6-14(11-13)21(26)27/h1-12H,(H,22,24)(H,26,27)/b17-12+
InChIKey OQHJSOSZNUBMCF-SFQUDFHCSA-N
Molecular Weight 374.352 g/mol
SMILES N1N(C(\C(=C\c2oc(-c3cc(C(=O)O)ccc3)cc2)C1=O)=O)c1ccccc1
SPLASH splash10-01xx-9874000000-bf583dbafe336925d65c
Synonyms 3-[5-[(E)-(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-furanyl]benzoic acid 3-[5-[(E)-(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-furyl]benzoic acid 3-[5-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid 3-[5-[(E)-[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
Wiley ID 1452404