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1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID 3jtQ3P48h8a
InChI InChI=1S/C20H15F3N4S/c21-20(22,23)16-8-4-7-15(9-16)12-28-19-17-10-26-27(18(17)24-13-25-19)11-14-5-2-1-3-6-14/h1-10,13H,11-12H2
InChIKey GZKPZLULSLQDEI-UHFFFAOYSA-N
Mol Weight 400.42 g/mol
Molecular Formula C20H15F3N4S
Exact Mass 400.096952 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AMRFKO9DPKY
Name 1-benzyl-4-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-pyrazolo[3,4-d]pyrimidine
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/C20H15F3N4S/c21-20(22,23)16-8-4-7-15(9-16)12-28-19-17-10-26-27(18(17)24-13-25-19)11-14-5-2-1-3-6-14/h1-10,13H,11-12H2
InChIKey GZKPZLULSLQDEI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26225
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: D62533; Labnumber: UDSG-06769; SBI_ID: SBI-026229
Synonyms 1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl 3-(trifluoromethyl)benzyl sulfide
Temperature 308 °C