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N-(4H-1,2,4-triazol-4-yl)-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea

View entire compound with spectra: 1 NMR

N-(4H-1,2,4-triazol-4-yl)-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
SpectraBase Compound ID 7lCxNEDF3rr
InChI InChI=1S/C7H7F6N5O/c1-5(6(8,9)10,7(11,12)13)16-4(19)17-18-2-14-15-3-18/h2-3H,1H3,(H2,16,17,19)
InChIKey AYHBLICNQMHSMZ-UHFFFAOYSA-N
Mol Weight 291.16 g/mol
Molecular Formula C7H7F6N5O
Exact Mass 291.055479 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6mIYwXtffY8
Name N-(4H-1,2,4-triazol-4-yl)-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
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/C7H7F6N5O/c1-5(6(8,9)10,7(11,12)13)16-4(19)17-18-2-14-15-3-18/h2-3H,1H3,(H2,16,17,19)
InChIKey AYHBLICNQMHSMZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3294
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: NMR/10211767; Labnumber: AU-I001779
Temperature 297 °C