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1-butyl-3-methyl-6-(5-methyl-2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 2bVAC4xPocN
InChI InChI=1S/C17H18F3N3S/c1-4-5-8-23-16-15(11(3)22-23)12(17(18,19)20)9-13(21-16)14-7-6-10(2)24-14/h6-7,9H,4-5,8H2,1-3H3
InChIKey XYRRORZCTSJUMO-UHFFFAOYSA-N
Mol Weight 353.41 g/mol
Molecular Formula C17H18F3N3S
Exact Mass 353.117353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fpx3YcFJ2sn
Name 1-butyl-3-methyl-6-(5-methyl-2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
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/C17H18F3N3S/c1-4-5-8-23-16-15(11(3)22-23)12(17(18,19)20)9-13(21-16)14-7-6-10(2)24-14/h6-7,9H,4-5,8H2,1-3H3
InChIKey XYRRORZCTSJUMO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32293
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: 1847458; SBI_ID: SBI-032297
Temperature 318 °C