For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-3-nitrobenzoic acid
SpectraBase Compound ID G3O8GCqfuzU
InChI InChI=1S/C18H14N4O5/c1-11-14(17(23)21(20-11)13-5-3-2-4-6-13)10-19-15-8-7-12(18(24)25)9-16(15)22(26)27/h2-10,19H,1H3,(H,24,25)/b14-10+
InChIKey VRJZBTXNOSATDJ-GXDHUFHOSA-N
Mol Weight 366.33 g/mol
Molecular Formula C18H14N4O5
Exact Mass 366.09642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C4DpysikW21
Name 4-{[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-3-nitrobenzoic 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/C18H14N4O5/c1-11-14(17(23)21(20-11)13-5-3-2-4-6-13)10-19-15-8-7-12(18(24)25)9-16(15)22(26)27/h2-10,19H,1H3,(H,24,25)/b14-10+
InChIKey VRJZBTXNOSATDJ-GXDHUFHOSA-N
NMR Offset 15.1248
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3241
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: AG-205/5067379; Labnumber: MAR001730s; IOH_ID: IOH-003242
Synonyms 4-{[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]amino}-3-nitrobenzoic acid
Temperature 313 °C