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(2-ethoxy-4-{(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetonitrile
SpectraBase Compound ID Hoh3LadqHVb
InChI InChI=1S/C21H18IN3O3/c1-3-27-20-13-15(4-9-19(20)28-11-10-23)12-18-14(2)24-25(21(18)26)17-7-5-16(22)6-8-17/h4-9,12-13H,3,11H2,1-2H3/b18-12+
InChIKey LUZNTWLADURITK-LDADJPATSA-N
Mol Weight 487.3 g/mol
Molecular Formula C21H18IN3O3
Exact Mass 487.039286 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GbNSReGmyZE
Name (2-ethoxy-4-{(E)-[1-(4-iodophenyl)-3-methyl-5-oxo-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/C21H18IN3O3/c1-3-27-20-13-15(4-9-19(20)28-11-10-23)12-18-14(2)24-25(21(18)26)17-7-5-16(22)6-8-17/h4-9,12-13H,3,11H2,1-2H3/b18-12+
InChIKey LUZNTWLADURITK-LDADJPATSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4854
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/9376966; Labnumber: BMA-04\010542; UZI_ID: UZI-004856
Synonyms (2-ethoxy-4-{[1-(4-iodophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetonitrile
Temperature 318 °C