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Benzoic acid, 4-(3,5-dioxopyrazolidin-1-yl)-, ethyl ester

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Benzoic acid, 4-(3,5-dioxopyrazolidin-1-yl)-, ethyl ester
SpectraBase Compound ID 9fwSRKJG4zv
InChI InChI=1S/C12H12N2O4/c1-2-18-12(17)8-3-5-9(6-4-8)14-11(16)7-10(15)13-14/h3-6H,2,7H2,1H3,(H,13,15)
InChIKey KTWDJCXAZWXNOR-UHFFFAOYSA-N
Mol Weight 248.24 g/mol
Molecular Formula C12H12N2O4
Exact Mass 248.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJD8wQMoD2f
Name Benzoic acid, 4-(3,5-dioxopyrazolidin-1-yl)-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O4
InChI InChI=1S/C12H12N2O4/c1-2-18-12(17)8-3-5-9(6-4-8)14-11(16)7-10(15)13-14/h3-6H,2,7H2,1H3,(H,13,15)
InChIKey KTWDJCXAZWXNOR-UHFFFAOYSA-N
Molecular Weight 248.238 g/mol
SMILES N1C(CC(N1c1ccc(C(=O)OCC)cc1)=O)=O
SPLASH splash10-0002-5950000000-6327b2fc897ffae167c6
Synonyms 4-(3,5-diketopyrazolidin-1-yl)benzoic acid ethyl ester 4-(3,5-dioxo-1-pyrazolidinyl)benzoic acid ethyl ester Ethyl 4-(3,5-dioxopyrazolidin-1-yl)benzoate Ethyl 4-[3,5-bis(oxidanylidene)pyrazolidin-1-yl]benzoate
Wiley ID 1446635