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N-(5-methyl-3-isoxazolyl)-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
SpectraBase Compound ID EmmEZQ4x8y1
InChI InChI=1S/C9H9F6N3O2/c1-4-3-5(18-20-4)16-6(19)17-7(2,8(10,11)12)9(13,14)15/h3H,1-2H3,(H2,16,17,18,19)
InChIKey CXXKVJPRVGCXGD-UHFFFAOYSA-N
Mol Weight 305.18 g/mol
Molecular Formula C9H9F6N3O2
Exact Mass 305.059896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID sTIeCf0Jea
Name N-(5-methyl-3-isoxazolyl)-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/C9H9F6N3O2/c1-4-3-5(18-20-4)16-6(19)17-7(2,8(10,11)12)9(13,14)15/h3H,1-2H3,(H2,16,17,18,19)
InChIKey CXXKVJPRVGCXGD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5270
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: 62036; UBI_ID: UBI-005272
Temperature 308 °C