For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-N-butyl-4-N-[4-[chloro(difluoro)methoxy]phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID 4aL4MxWHibM
InChI InChI=1S/C16H17ClF5N5O2/c1-2-3-8-23-12-25-13(27-14(26-12)28-9-15(18,19)20)24-10-4-6-11(7-5-10)29-16(17,21)22/h4-7H,2-3,8-9H2,1H3,(H2,23,24,25,26,27)
InChIKey MQOLCTADLLVGPA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EtiHVWVut8a
Name 1,3,5-triazine-2,4-diamine, N~2~-butyl-N~4~-[4-(chlorodifluoromethoxy)phenyl]-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/c1-2-3-8-23-12-25-13(27-14(26-12)28-9-15(18,19)20)24-10-4-6-11(7-5-10)29-16(17,21)22/h4-7H,2-3,8-9H2,1H3,(H2,23,24,25,26,27)
InChIKey MQOLCTADLLVGPA-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_16554
Solvent DMSO-d6
Source Vendor ID: NMR/11260434; Lab Info: AS; Lab Number: AS-X000110