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N-[1,1-bis(trifluoromethyl)propyl]-N'-(5-methyl-3-isoxazolyl)urea
SpectraBase Compound ID 1sD8SqTR7Bs
InChI InChI=1S/C10H11F6N3O2/c1-3-8(9(11,12)13,10(14,15)16)18-7(20)17-6-4-5(2)21-19-6/h4H,3H2,1-2H3,(H2,17,18,19,20)
InChIKey AYUNKXOYFAAICS-UHFFFAOYSA-N
Mol Weight 319.21 g/mol
Molecular Formula C10H11F6N3O2
Exact Mass 319.075546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GgBSmqD3fdS
Name N-[1,1-bis(trifluoromethyl)propyl]-N'-(5-methyl-3-isoxazolyl)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/C10H11F6N3O2/c1-3-8(9(11,12)13,10(14,15)16)18-7(20)17-6-4-5(2)21-19-6/h4H,3H2,1-2H3,(H2,17,18,19,20)
InChIKey AYUNKXOYFAAICS-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5271
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: 62037; UBI_ID: UBI-005273
Temperature 308 °C