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3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid methyl ester
SpectraBase Compound ID AzFCSVe4WTw
InChI InChI=1S/C22H15ClN2O5/c1-29-22(28)14-5-2-4-13(10-14)19-9-8-17(30-19)12-18-20(26)24-25(21(18)27)16-7-3-6-15(23)11-16/h2-12H,1H3,(H,24,26)/b18-12-
InChIKey SBBLBDRUBMCTHP-PDGQHHTCSA-N
Mol Weight 422.82 g/mol
Molecular Formula C22H15ClN2O5
Exact Mass 422.066949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NQouTcXP6R
Name 3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-diketo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15ClN2O5
InChI InChI=1S/C22H15ClN2O5/c1-29-22(28)14-5-2-4-13(10-14)19-9-8-17(30-19)12-18-20(26)24-25(21(18)27)16-7-3-6-15(23)11-16/h2-12H,1H3,(H,24,26)/b18-12-
InChIKey SBBLBDRUBMCTHP-PDGQHHTCSA-N
Molecular Weight 422.824 g/mol
SMILES N1N(C(\C(C1=O)=C\c1oc(-c2cc(C(=O)OC)ccc2)cc1)=O)c1cc(Cl)ccc1
SPLASH splash10-0uki-4940000000-21656eb5da24edeea79b
Synonyms 3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]-2-furanyl]benzoic acid methyl ester Methyl 3-(5-{[1-(3-chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)benzoate Methyl 3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate Methyl 3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate Methyl 3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate
Wiley ID 1463888