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1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-alpha-[[3-iodo-5-methoxy-4-(2-propynyloxy)phenyl]methylene]-1-phenyl-
SpectraBase Compound ID 9XXJiYdk3fw
InChI InChI=1S/C23H16IN5O2/c1-3-9-31-22-19(24)11-15(12-20(22)30-2)10-16(13-25)21-18(14-26)23(27)29(28-21)17-7-5-4-6-8-17/h1,4-8,10-12H,9,27H2,2H3/b16-10+
InChIKey OAOHWHHENMRWEV-MHWRWJLKSA-N
Mol Weight 521.32 g/mol
Molecular Formula C23H16IN5O2
Exact Mass 521.03487 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CEpDYm2ct3U
Name 1H-pyrazole-3-acetonitrile, 5-amino-4-cyano-alpha-[[3-iodo-5-methoxy-4-(2-propynyloxy)phenyl]methylene]-1-phenyl-
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/C23H16IN5O2/c1-3-9-31-22-19(24)11-15(12-20(22)30-2)10-16(13-25)21-18(14-26)23(27)29(28-21)17-7-5-4-6-8-17/h1,4-8,10-12H,9,27H2,2H3/b16-10+
InChIKey OAOHWHHENMRWEV-MHWRWJLKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7161
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: ZI/7048716; Labnumber: SAD-E400017; IOH_ID: IOH-014165