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6-[(4,6-Dimethyl-2-pyrimidinyl)sulfanyl]-3-(1,1,2,2,3,3,3-heptafluoropropyl)[1,2,4]triazolo[4,3-b]pyridazine
SpectraBase Compound ID HH3Kr9MEOM5
InChI InChI=1S/C14H9F7N6S/c1-6-5-7(2)23-11(22-6)28-9-4-3-8-24-25-10(27(8)26-9)12(15,16)13(17,18)14(19,20)21/h3-5H,1-2H3
InChIKey FVSATDQRASQLEK-UHFFFAOYSA-N
Mol Weight 426.32 g/mol
Molecular Formula C14H9F7N6S
Exact Mass 426.049763 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CzrnLsM8dtX
Name [1,2,4]triazolo[4,3-b]pyridazine, 6-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-(1,1,2,2,3,3,3-heptafluoropropyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.049762629 u
Formula C14H9F7N6S
InChI InChI=1S/C14H9F7N6S/c1-6-5-7(2)23-11(22-6)28-9-4-3-8-24-25-10(27(8)26-9)12(15,16)13(17,18)14(19,20)21/h3-5H,1-2H3
InChIKey FVSATDQRASQLEK-UHFFFAOYSA-N
Molecular Weight 426.317 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5419
Solvent DMSO-d6
Source Vendor ID: NMR/9263412; Lab Info: AS; Lab Number: AS-0000283