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1-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-3,3-dimethyl-2-butanone

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1-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-3,3-dimethyl-2-butanone
SpectraBase Compound ID A8vr7BeVM6Y
InChI InChI=1S/C17H17BrN4OS/c1-17(2,3)14(23)9-24-16-13-8-21-22(15(13)19-10-20-16)12-6-4-11(18)5-7-12/h4-8,10H,9H2,1-3H3
InChIKey BQEDDKXMPHOVDA-UHFFFAOYSA-N
Mol Weight 405.31 g/mol
Molecular Formula C17H17BrN4OS
Exact Mass 404.030645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Nrf3RNbE73
Name 1-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-3,3-dimethyl-2-butanone
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/C17H17BrN4OS/c1-17(2,3)14(23)9-24-16-13-8-21-22(15(13)19-10-20-16)12-6-4-11(18)5-7-12/h4-8,10H,9H2,1-3H3
InChIKey BQEDDKXMPHOVDA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25812
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: D62405; Labnumber: UDSG-06311; SBI_ID: SBI-025816
Temperature 318 °C