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N-(1,3-benzodioxol-5-ylmethyl)-N-(4-fluorophenyl)-N'-[2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]urea
SpectraBase Compound ID 5JucizjLJS2
InChI InChI=1S/C19H15F7N2O3/c1-17(18(21,22)23,19(24,25)26)27-16(29)28(13-5-3-12(20)4-6-13)9-11-2-7-14-15(8-11)31-10-30-14/h2-8H,9-10H2,1H3,(H,27,29)
InChIKey WZEZUSKJFUQOGS-UHFFFAOYSA-N
Mol Weight 452.33 g/mol
Molecular Formula C19H15F7N2O3
Exact Mass 452.097089 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 82uhetUv33R
Name 1,3-benzodioxole, 5-[[(4-fluorophenyl)[(Z)-hydroxy[[(Z)-2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl]imino]methyl]amino]methyl]-
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/C19H15F7N2O3/c1-17(18(21,22)23,19(24,25)26)27-16(29)28(13-5-3-12(20)4-6-13)9-11-2-7-14-15(8-11)31-10-30-14/h2-8H,9-10H2,1H3,(H,27,29)
InChIKey WZEZUSKJFUQOGS-UHFFFAOYSA-N
NMR Offset 14.5168
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_CB_8313_737
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: NMR/8253324; Labnumber: PIP-l1628
Temperature 297 °C