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(2-bromo-4-{(Z)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile

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(2-bromo-4-{(Z)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
SpectraBase Compound ID 7T2w7JMl9EQ
InChI InChI=1S/C20H15BrClN3O3/c1-12-16(20(26)25(24-12)15-5-3-14(22)4-6-15)9-13-10-17(21)19(28-8-7-23)18(11-13)27-2/h3-6,9-11H,8H2,1-2H3/b16-9-
InChIKey NXNLGNFEOXNPGB-SXGWCWSVSA-N
Mol Weight 460.72 g/mol
Molecular Formula C20H15BrClN3O3
Exact Mass 458.998532 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CrxDXGHVyER
Name (2-bromo-4-{(Z)-[1-(4-chlorophenyl)-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/C20H15BrClN3O3/c1-12-16(20(26)25(24-12)15-5-3-14(22)4-6-15)9-13-10-17(21)19(28-8-7-23)18(11-13)27-2/h3-6,9-11H,8H2,1-2H3/b16-9-
InChIKey NXNLGNFEOXNPGB-SXGWCWSVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19594
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/9145652; UBI_ID: UBI-019598
Synonyms (2-bromo-4-{[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-6-methoxyphenoxy)acetonitrile
Temperature 308 °C