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3-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID HtR6pRW85XD
InChI InChI=1S/C21H20FN3OS2/c1-24(2)11-12-25-20(26)19-18(15-8-4-6-10-17(15)28-19)23-21(25)27-13-14-7-3-5-9-16(14)22/h3-10H,11-13H2,1-2H3
InChIKey YNWKEVCNAFNMLC-UHFFFAOYSA-N
Mol Weight 413.53 g/mol
Molecular Formula C21H20FN3OS2
Exact Mass 413.103183 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LHoaAGXvNyr
Name 3-[2-(dimethylamino)ethyl]-2-[(2-fluorobenzyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.103182786 u
Formula C21H20FN3OS2
InChI InChI=1S/C21H20FN3OS2/c1-24(2)11-12-25-20(26)19-18(15-8-4-6-10-17(15)28-19)23-21(25)27-13-14-7-3-5-9-16(14)22/h3-10H,11-13H2,1-2H3
InChIKey YNWKEVCNAFNMLC-UHFFFAOYSA-N
Molecular Weight 413.529 g/mol
NMR Offset 18.0001
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9829
Solvent DMSO-d6
Source Vendor ID: NMR/13229898