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6-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID E3oKfUHTpFU
InChI InChI=1S/C16H11F3N6S/c1-8-7-9(2)21-15(20-8)26-13-11-6-4-3-5-10(11)12-22-23-14(16(17,18)19)25(12)24-13/h3-7H,1-2H3
InChIKey FWNBDNQZGYYUCN-UHFFFAOYSA-N
Mol Weight 376.36 g/mol
Molecular Formula C16H11F3N6S
Exact Mass 376.0718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4dGnVxfE4aw
Name 6-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-a]phthalazine
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H11F3N6S/c1-8-7-9(2)21-15(20-8)26-13-11-6-4-3-5-10(11)12-22-23-14(16(17,18)19)25(12)24-13/h3-7H,1-2H3
InChIKey FWNBDNQZGYYUCN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_1812
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9254821; Labnumber: AS-0000256
Temperature 303 °C