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2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde N-phenylsemicarbazone
SpectraBase Compound ID 4byn5affEFq
InChI InChI=1S/C21H19F3N4O/c1-14-11-16(13-25-27-20(29)26-18-8-4-3-5-9-18)15(2)28(14)19-10-6-7-17(12-19)21(22,23)24/h3-13H,1-2H3,(H2,26,27,29)/b25-13+
InChIKey KJGVXWAERSQFJO-DHRITJCHSA-N
Mol Weight 400.41 g/mol
Molecular Formula C21H19F3N4O
Exact Mass 400.151096 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BFUzwoKx0B3
Name 2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde N-phenylsemicarbazone
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/C21H19F3N4O/c1-14-11-16(13-25-27-20(29)26-18-8-4-3-5-9-18)15(2)28(14)19-10-6-7-17(12-19)21(22,23)24/h3-13H,1-2H3,(H2,26,27,29)/b25-13+
InChIKey KJGVXWAERSQFJO-DHRITJCHSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8265
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: 9686244; UBI_ID: UBI-008268
Temperature 308 °C