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4-[(4E)-3,5-dioxo-4-(phenylmethylene)-1-pyrazolidinyl]benzoic acid ethyl ester
SpectraBase Compound ID FEJFBfawVbk
InChI InChI=1S/C19H16N2O4/c1-2-25-19(24)14-8-10-15(11-9-14)21-18(23)16(17(22)20-21)12-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,22)/b16-12+
InChIKey RDJBPXAGXNUUIJ-FOWTUZBSSA-N
Mol Weight 336.35 g/mol
Molecular Formula C19H16N2O4
Exact Mass 336.111007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1a7kPWI9VLG
Name 4-[(4E)-3,5-dioxo-4-(phenylmethylene)-1-pyrazolidinyl]benzoic acid ethyl ester
Alternate Name(s) 4-[(4E)-4-benzal-3,5-diketo-pyrazolidin-1-yl]benzoic acid ethyl ester Ethyl 4-[(4E)-3,5-bis(oxidanylidene)-4-(phenylmethylidene)pyrazolidin-1-yl]benzoate Ethyl 4-[(4E)-4-benzylidene-3,5-dioxo-pyrazolidin-1-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O4
InChI InChI=1S/C19H16N2O4/c1-2-25-19(24)14-8-10-15(11-9-14)21-18(23)16(17(22)20-21)12-13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,22)/b16-12+
InChIKey RDJBPXAGXNUUIJ-FOWTUZBSSA-N
Molecular Weight 336.347 g/mol
SMILES N1N(C(\C(C1=O)=C/c1ccccc1)=O)c1ccc(C(=O)OCC)cc1
SPLASH splash10-0udi-7922000000-64b825d235274f3e88c7
Wiley ID 1452100