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3H-pyrazol-3-one, 4-[[(2E)-5-(4-bromophenyl)-3-oxofuranylidene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
SpectraBase Compound ID 6G990BifyyQ
InChI InChI=1S/C21H16BrN3O3/c1-13-19(21(27)25(24(13)2)16-6-4-3-5-7-16)23-20-17(26)12-18(28-20)14-8-10-15(22)11-9-14/h3-12H,1-2H3/b23-20+
InChIKey BZXAZJGBXCOGTK-BSYVCWPDSA-N
Mol Weight 438.28 g/mol
Molecular Formula C21H16BrN3O3
Exact Mass 437.037504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7NUWPrmxObh
Name 3H-pyrazol-3-one, 4-[[(2E)-5-(4-bromophenyl)-3-oxofuranylidene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
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/C21H16BrN3O3/c1-13-19(21(27)25(24(13)2)16-6-4-3-5-7-16)23-20-17(26)12-18(28-20)14-8-10-15(22)11-9-14/h3-12H,1-2H3/b23-20+
InChIKey BZXAZJGBXCOGTK-BSYVCWPDSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_3742
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: NMR/11301419; Labnumber: GEI-ZAL0098