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[2-ethoxy-6-iodo-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetonitrile

View entire compound with spectra: 1 NMR

[2-ethoxy-6-iodo-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetonitrile
SpectraBase Compound ID GuKE6ZXeJwg
InChI InChI=1S/C22H17F3IN3O3/c1-3-31-19-11-14(10-18(26)20(19)32-8-7-27)9-17-13(2)28-29(21(17)30)16-6-4-5-15(12-16)22(23,24)25/h4-6,9-12H,3,8H2,1-2H3/b17-9-
InChIKey SDADDSXFGKXNMJ-MFOYZWKCSA-N
Mol Weight 555.3 g/mol
Molecular Formula C22H17F3IN3O3
Exact Mass 555.026671 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A8cI66rBBDr
Name [2-ethoxy-6-iodo-4-((Z)-{3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]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/C22H17F3IN3O3/c1-3-31-19-11-14(10-18(26)20(19)32-8-7-27)9-17-13(2)28-29(21(17)30)16-6-4-5-15(12-16)22(23,24)25/h4-6,9-12H,3,8H2,1-2H3/b17-9-
InChIKey SDADDSXFGKXNMJ-MFOYZWKCSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16952
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/8198415; UBI_ID: UBI-016955
Synonyms [2-ethoxy-6-iodo-4-({3-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)phenoxy]acetonitrile
Temperature 308 °C