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3-{(4Z)-4-[4-(allyloxy)-3-chloro-5-ethoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}propanenitrile
SpectraBase Compound ID 2rZEVxSFMpx
InChI InChI=1S/C19H20ClN3O3/c1-4-9-26-18-16(20)11-14(12-17(18)25-5-2)10-15-13(3)22-23(19(15)24)8-6-7-21/h4,10-12H,1,5-6,8-9H2,2-3H3/b15-10-
InChIKey LHYLOFDZVRRZRA-GDNBJRDFSA-N
Mol Weight 373.84 g/mol
Molecular Formula C19H20ClN3O3
Exact Mass 373.119319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4pBHZLkGA3y
Name 3-{(4Z)-4-[4-(allyloxy)-3-chloro-5-ethoxybenzylidene]-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/C19H20ClN3O3/c1-4-9-26-18-16(20)11-14(12-17(18)25-5-2)10-15-13(3)22-23(19(15)24)8-6-7-21/h4,10-12H,1,5-6,8-9H2,2-3H3/b15-10-
InChIKey LHYLOFDZVRRZRA-GDNBJRDFSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6870
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/8189700; UBI_ID: UBI-006872
Synonyms 3-{4-[4-(allyloxy)-3-chloro-5-ethoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}propanenitrile
Temperature 308 °C