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3-[(4Z)-4-(3-bromo-5-ethoxy-4-isopropoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile
SpectraBase Compound ID 4XE2E44iDa2
InChI InChI=1S/C19H22BrN3O3/c1-5-25-17-11-14(10-16(20)18(17)26-12(2)3)9-15-13(4)22-23(19(15)24)8-6-7-21/h9-12H,5-6,8H2,1-4H3/b15-9-
InChIKey SAXUHXRHUYJRBF-DHDCSXOGSA-N
Mol Weight 420.31 g/mol
Molecular Formula C19H22BrN3O3
Exact Mass 419.084455 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cqulzuwe5f
Name 3-[(4Z)-4-(3-bromo-5-ethoxy-4-isopropoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile
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/C19H22BrN3O3/c1-5-25-17-11-14(10-16(20)18(17)26-12(2)3)9-15-13(4)22-23(19(15)24)8-6-7-21/h9-12H,5-6,8H2,1-4H3/b15-9-
InChIKey SAXUHXRHUYJRBF-DHDCSXOGSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7112
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/8191564; UBI_ID: UBI-007115
Synonyms 3-[4-(3-bromo-5-ethoxy-4-isopropoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]propanenitrile
Temperature 308 °C