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(4-{(Z)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetonitrile
SpectraBase Compound ID LgFHwqfGibk
InChI InChI=1S/C21H18ClN3O3/c1-3-27-20-13-15(8-9-19(20)28-11-10-23)12-16-14(2)24-25(21(16)26)18-7-5-4-6-17(18)22/h4-9,12-13H,3,11H2,1-2H3/b16-12-
InChIKey OFZCETYSZNRHSO-VBKFSLOCSA-N
Mol Weight 395.85 g/mol
Molecular Formula C21H18ClN3O3
Exact Mass 395.103669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4chfOHkIRZh
Name (4-{(Z)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetonitrile
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/C21H18ClN3O3/c1-3-27-20-13-15(8-9-19(20)28-11-10-23)12-16-14(2)24-25(21(16)26)18-7-5-4-6-17(18)22/h4-9,12-13H,3,11H2,1-2H3/b16-12-
InChIKey OFZCETYSZNRHSO-VBKFSLOCSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7140
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/8192402; UBI_ID: UBI-007143
Synonyms (4-{[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-ethoxyphenoxy)acetonitrile
Temperature 308 °C