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(2E)-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxo-2-butenoic acid
SpectraBase Compound ID BlDIaIPURr0
InChI InChI=1S/C15H15N3O4/c1-10-14(16-12(19)8-9-13(20)21)15(22)18(17(10)2)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,19)(H,20,21)/b9-8+
InChIKey OOPQDRYQEAEXEW-CMDGGOBGSA-N
Mol Weight 301.3 g/mol
Molecular Formula C15H15N3O4
Exact Mass 301.106256 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cfex3Ot5XuL
Name (2E)-4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxo-2-butenoic acid
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/C15H15N3O4/c1-10-14(16-12(19)8-9-13(20)21)15(22)18(17(10)2)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,19)(H,20,21)/b9-8+
InChIKey OOPQDRYQEAEXEW-CMDGGOBGSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15164
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: C29883; Labnumber: KRON-0581; SBI_ID: SBI-015167
Synonyms 4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxo-2-butenoic acid
Temperature 308 °C