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

*Links on SpectraBase are not permalinks.

6-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)[1,2,4]triazolo[4,3-b]pyridazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)[1,2,4]triazolo[4,3-b]pyridazine
SpectraBase Compound ID AS8l2e2dpuN
InChI InChI=1S/C17H9F13N6S/c1-6-5-7(2)32-11(31-6)37-9-4-3-8-33-34-10(36(8)35-9)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h3-5H,1-2H3
InChIKey PUZWJJVOHWYICU-UHFFFAOYSA-N
Mol Weight 576.34 g/mol
Molecular Formula C17H9F13N6S
Exact Mass 576.040182 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 6LXAW6g1jv8
Name [1,2,4]triazolo[4,3-b]pyridazine, 6-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.040181607 u
Formula C17H9F13N6S
InChI InChI=1S/C17H9F13N6S/c1-6-5-7(2)32-11(31-6)37-9-4-3-8-33-34-10(36(8)35-9)12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h3-5H,1-2H3
InChIKey PUZWJJVOHWYICU-UHFFFAOYSA-N
Molecular Weight 576.340 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_603
Solvent DMSO-d6
Source Vendor ID: NMR/8295243; Lab Info: AS; Lab Number: AS-0000019
Temperature 23.85 °C