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2-(4-{(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-phenylacetamide
SpectraBase Compound ID 72kKB6PuQr
InChI InChI=1S/C23H22N4O4/c1-16-19(23(29)27(26-16)12-6-11-24)13-17-9-10-20(21(14-17)30-2)31-15-22(28)25-18-7-4-3-5-8-18/h3-5,7-10,13-14H,6,12,15H2,1-2H3,(H,25,28)/b19-13-
InChIKey MMHSBCLSZHBMPB-UYRXBGFRSA-N
Mol Weight 418.45 g/mol
Molecular Formula C23H22N4O4
Exact Mass 418.164105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 99K7K7cCNQ3
Name 2-(4-{(Z)-[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-phenylacetamide
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/C23H22N4O4/c1-16-19(23(29)27(26-16)12-6-11-24)13-17-9-10-20(21(14-17)30-2)31-15-22(28)25-18-7-4-3-5-8-18/h3-5,7-10,13-14H,6,12,15H2,1-2H3,(H,25,28)/b19-13-
InChIKey MMHSBCLSZHBMPB-UYRXBGFRSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6804
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/8188092; UBI_ID: UBI-006806
Synonyms 2-(4-{[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-phenylacetamide
Temperature 308 °C