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1,3,5-triazine-2,4-diamine, N~2~-[4-(chlorodifluoromethoxy)phenyl]-N~4~-(1-methylpropyl)-6-(2,2,2-trifluoroethoxy)-
SpectraBase Compound ID CfHfkSV8eJ
InChI InChI=1S/C16H17ClF5N5O2/c1-3-9(2)23-12-25-13(27-14(26-12)28-8-15(18,19)20)24-10-4-6-11(7-5-10)29-16(17,21)22/h4-7,9H,3,8H2,1-2H3,(H2,23,24,25,26,27)
InChIKey MLVDVYIKIPKMIS-UHFFFAOYSA-N
Mol Weight 441.79 g/mol
Molecular Formula C16H17ClF5N5O2
Exact Mass 441.099093 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Fu6RDC6xn
Name 1,3,5-triazine-2,4-diamine, N~2~-[4-(chlorodifluoromethoxy)phenyl]-N~4~-(1-methylpropyl)-6-(2,2,2-trifluoroethoxy)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.099093320 u
Formula C16H17ClF5N5O2
InChI InChI=1S/C16H17ClF5N5O2/c1-3-9(2)23-12-25-13(27-14(26-12)28-8-15(18,19)20)24-10-4-6-11(7-5-10)29-16(17,21)22/h4-7,9H,3,8H2,1-2H3,(H2,23,24,25,26,27)
InChIKey MLVDVYIKIPKMIS-UHFFFAOYSA-N
Molecular Weight 441.790 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16329
Solvent DMSO-d6
Source Vendor ID: NMR/11220155; Lab Info: AS; Lab Number: AS-x000073