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N-[1,1-bis(trifluoromethyl)propyl]-N'-(3-nitrophenyl)urea
SpectraBase Compound ID 9YFBVcAhIxD
InChI InChI=1S/C12H11F6N3O3/c1-2-10(11(13,14)15,12(16,17)18)20-9(22)19-7-4-3-5-8(6-7)21(23)24/h3-6H,2H2,1H3,(H2,19,20,22)
InChIKey XOUDDJGRHCKDRY-UHFFFAOYSA-N
Mol Weight 359.23 g/mol
Molecular Formula C12H11F6N3O3
Exact Mass 359.07046 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8xbfnOliaGc
Name N-[1,1-bis(trifluoromethyl)propyl]-N'-(3-nitrophenyl)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/C12H11F6N3O3/c1-2-10(11(13,14)15,12(16,17)18)20-9(22)19-7-4-3-5-8(6-7)21(23)24/h3-6H,2H2,1H3,(H2,19,20,22)
InChIKey XOUDDJGRHCKDRY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5278
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: 62048; UBI_ID: UBI-005280
Temperature 318 °C