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(2-bromo-4-{(Z)-[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
SpectraBase Compound ID EDnjW6WvUNf
InChI InChI=1S/C20H15Br2N3O3/c1-12-16(20(26)25(24-12)15-5-3-4-14(21)11-15)8-13-9-17(22)19(28-7-6-23)18(10-13)27-2/h3-5,8-11H,7H2,1-2H3/b16-8-
InChIKey WCRRAHKNHDTYAJ-PXNMLYILSA-N
Mol Weight 505.17 g/mol
Molecular Formula C20H15Br2N3O3
Exact Mass 502.948017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3jlEvbltp6y
Name (2-bromo-4-{(Z)-[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
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/C20H15Br2N3O3/c1-12-16(20(26)25(24-12)15-5-3-4-14(21)11-15)8-13-9-17(22)19(28-7-6-23)18(10-13)27-2/h3-5,8-11H,7H2,1-2H3/b16-8-
InChIKey WCRRAHKNHDTYAJ-PXNMLYILSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17444
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/9055296; UBI_ID: UBI-017447
Synonyms (2-bromo-4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
Temperature 308 °C