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2-N-tert-butyl-4-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID CLuChtkmjL2
InChI InChI=1S/C16H17ClF5N5O2/c1-14(2,3)27-12-24-11(25-13(26-12)28-8-15(18,19)20)23-9-4-6-10(7-5-9)29-16(17,21)22/h4-7H,8H2,1-3H3,(H2,23,24,25,26,27)
InChIKey ICYBSDNSHIZPAH-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 4JdpT2cXmQ8
Name 1,3,5-triazine-2,4-diamine, N~2~-[4-(chlorodifluoromethoxy)phenyl]-N~4~-(1,1-dimethylethyl)-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/c1-14(2,3)27-12-24-11(25-13(26-12)28-8-15(18,19)20)23-9-4-6-10(7-5-9)29-16(17,21)22/h4-7H,8H2,1-3H3,(H2,23,24,25,26,27)
InChIKey ICYBSDNSHIZPAH-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_14559
Solvent DMSO-d6
Source Vendor ID: NMR/10320129; Lab Info: AS; Lab Number: AS-X000041