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N-[1,1-bis(trifluoromethyl)propyl]-N'-(2-pyrimidinyl)urea
SpectraBase Compound ID MLU4xyXcyN
InChI InChI=1S/C10H10F6N4O/c1-2-8(9(11,12)13,10(14,15)16)20-7(21)19-6-17-4-3-5-18-6/h3-5H,2H2,1H3,(H2,17,18,19,20,21)
InChIKey LLWPEXBQNNTPRP-UHFFFAOYSA-N
Mol Weight 316.21 g/mol
Molecular Formula C10H10F6N4O
Exact Mass 316.07588 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7URhFGjkb1v
Name N-[1,1-bis(trifluoromethyl)propyl]-N'-(2-pyrimidinyl)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/C10H10F6N4O/c1-2-8(9(11,12)13,10(14,15)16)20-7(21)19-6-17-4-3-5-18-6/h3-5H,2H2,1H3,(H2,17,18,19,20,21)
InChIKey LLWPEXBQNNTPRP-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5265
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: 62031; UBI_ID: UBI-005267
Temperature 308 °C