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N-[1,1-bis(trifluoromethyl)propyl]-N'-(6-methyl-2-pyridinyl)urea
SpectraBase Compound ID EiAOg2VYd1V
InChI InChI=1S/C12H13F6N3O/c1-3-10(11(13,14)15,12(16,17)18)21-9(22)20-8-6-4-5-7(2)19-8/h4-6H,3H2,1-2H3,(H2,19,20,21,22)
InChIKey AOAIQQOQGOURMU-UHFFFAOYSA-N
Mol Weight 329.25 g/mol
Molecular Formula C12H13F6N3O
Exact Mass 329.096281 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6kYzaOQa0eZ
Name N-[1,1-bis(trifluoromethyl)propyl]-N'-(6-methyl-2-pyridinyl)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/C12H13F6N3O/c1-3-10(11(13,14)15,12(16,17)18)21-9(22)20-8-6-4-5-7(2)19-8/h4-6H,3H2,1-2H3,(H2,19,20,21,22)
InChIKey AOAIQQOQGOURMU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5393
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: UZI/6152351; Labnumber: bt_00672; UZI_ID: UZI-005395
Temperature 318 °C