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2-(4-{(E)-[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetamide
SpectraBase Compound ID 44eyTLONjr7
InChI InChI=1S/C20H18BrN3O4/c1-12-16(20(26)24(23-12)15-5-3-4-14(21)10-15)8-13-6-7-17(18(9-13)27-2)28-11-19(22)25/h3-10H,11H2,1-2H3,(H2,22,25)/b16-8+
InChIKey ABXBMGVXNPIAOX-LZYBPNLTSA-N
Mol Weight 444.29 g/mol
Molecular Formula C20H18BrN3O4
Exact Mass 443.048069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5CObw5ooeel
Name 2-(4-{(E)-[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)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/C20H18BrN3O4/c1-12-16(20(26)24(23-12)15-5-3-4-14(21)10-15)8-13-6-7-17(18(9-13)27-2)28-11-19(22)25/h3-10H,11H2,1-2H3,(H2,22,25)/b16-8+
InChIKey ABXBMGVXNPIAOX-LZYBPNLTSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5051
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/8074057; Labnumber: BMW-100430A; UZI_ID: UZI-005053
Synonyms 2-(4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetamide
Temperature 308 °C