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4-[(4E)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-3,5-diketo-pyrazolidin-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID AdmQ7uqTMUW
InChI InChI=1S/C20H15ClN2O6/c1-2-27-20(26)11-3-5-13(6-4-11)23-19(25)14(18(24)22-23)7-12-8-16-17(9-15(12)21)29-10-28-16/h3-9H,2,10H2,1H3,(H,22,24)/b14-7+
InChIKey ATZWJHWFZCMVIA-VGOFMYFVSA-N
Mol Weight 414.8 g/mol
Molecular Formula C20H15ClN2O6
Exact Mass 414.061864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYEos5ZzioI
Name 4-[(4E)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-3,5-diketo-pyrazolidin-1-yl]benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15ClN2O6
InChI InChI=1S/C20H15ClN2O6/c1-2-27-20(26)11-3-5-13(6-4-11)23-19(25)14(18(24)22-23)7-12-8-16-17(9-15(12)21)29-10-28-16/h3-9H,2,10H2,1H3,(H,22,24)/b14-7+
InChIKey ATZWJHWFZCMVIA-VGOFMYFVSA-N
Molecular Weight 414.801 g/mol
SMILES N1N(C(\C(C1=O)=C/c1c(cc2c(c1)OCO2)Cl)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-004i-8914000000-93ae485339513e5fd243
Synonyms 4-[(4E)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxo-1-pyrazolidinyl]benzoic acid ethyl ester Ethyl 4-[(4E)-4-[(6-chloranyl-1,3-benzodioxol-5-yl)methylidene]-3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate Ethyl 4-[(4E)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-3,5-dioxo-pyrazolidin-1-yl]benzoate Ethyl 4-[(4E)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Wiley ID 1436971