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2-{2-bromo-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-N-(4-methylphenyl)acetamide

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2-{2-bromo-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-N-(4-methylphenyl)acetamide
SpectraBase Compound ID 1Kk4pkHJq26
InChI InChI=1S/C28H26BrN3O4/c1-4-35-25-16-20(14-23-19(3)31-32(28(23)34)22-8-6-5-7-9-22)15-24(29)27(25)36-17-26(33)30-21-12-10-18(2)11-13-21/h5-16H,4,17H2,1-3H3,(H,30,33)/b23-14-
InChIKey CIGRUUSDDHPGLQ-UCQKPKSFSA-N
Mol Weight 548.44 g/mol
Molecular Formula C28H26BrN3O4
Exact Mass 547.110669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ttD5P0gHJO
Name 2-{2-bromo-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-N-(4-methylphenyl)acetamide
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/C28H26BrN3O4/c1-4-35-25-16-20(14-23-19(3)31-32(28(23)34)22-8-6-5-7-9-22)15-24(29)27(25)36-17-26(33)30-21-12-10-18(2)11-13-21/h5-16H,4,17H2,1-3H3,(H,30,33)/b23-14-
InChIKey CIGRUUSDDHPGLQ-UCQKPKSFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13104
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/9050921; UBI_ID: UBI-013107
Synonyms 2-{2-bromo-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-N-(4-methylphenyl)acetamide
Temperature 308 °C