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(4E)-2-(3-bromophenyl)-4-(4-isopropoxy-3-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one

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(4E)-2-(3-bromophenyl)-4-(4-isopropoxy-3-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 9YXpJwJSfNz
InChI InChI=1S/C21H21BrN2O3/c1-13(2)27-19-9-8-15(11-20(19)26-4)10-18-14(3)23-24(21(18)25)17-7-5-6-16(22)12-17/h5-13H,1-4H3/b18-10+
InChIKey OQLKUKFOILDKOQ-VCHYOVAHSA-N
Mol Weight 429.31 g/mol
Molecular Formula C21H21BrN2O3
Exact Mass 428.073556 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID II1R4NA2nyP
Name (4E)-2-(3-bromophenyl)-4-(4-isopropoxy-3-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
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/C21H21BrN2O3/c1-13(2)27-19-9-8-15(11-20(19)26-4)10-18-14(3)23-24(21(18)25)17-7-5-6-16(22)12-17/h5-13H,1-4H3/b18-10+
InChIKey OQLKUKFOILDKOQ-VCHYOVAHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15732
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/8024337; UBI_ID: UBI-015735
Synonyms 2-(3-bromophenyl)-4-(4-isopropoxy-3-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 318 °C