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2-N-butyl-6-(2,2,2-trifluoroethoxy)-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 5Bk2AKOuq8R
InChI InChI=1S/C16H17F6N5O2/c1-2-3-8-23-12-25-13(27-14(26-12)28-9-15(17,18)19)24-10-4-6-11(7-5-10)29-16(20,21)22/h4-7H,2-3,8-9H2,1H3,(H2,23,24,25,26,27)
InChIKey FCYHYCRHITVYIR-UHFFFAOYSA-N
Mol Weight 425.34 g/mol
Molecular Formula C16H17F6N5O2
Exact Mass 425.128644 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FHqQVzdufv5
Name 1,3,5-triazine-2,4-diamine, N~2~-butyl-6-(2,2,2-trifluoroethoxy)-N~4~-[4-(trifluoromethoxy)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.128643783 u
Formula C16H17F6N5O2
InChI InChI=1S/C16H17F6N5O2/c1-2-3-8-23-12-25-13(27-14(26-12)28-9-15(17,18)19)24-10-4-6-11(7-5-10)29-16(20,21)22/h4-7H,2-3,8-9H2,1H3,(H2,23,24,25,26,27)
InChIKey FCYHYCRHITVYIR-UHFFFAOYSA-N
Molecular Weight 425.335 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16555
Solvent DMSO-d6
Source Vendor ID: NMR/11260435; Lab Info: AS; Lab Number: AS-X000111