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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3H6OALIopH4
Name ethyl 4-(3,5-dioxo-1-pyrazolidinyl)benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_891
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/6216567; UBI_ID: UBI-000892
Temperature 308 °C