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2-[(2-fluorobenzyl)sulfanyl]-3-isopentyl[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 1qwJyTzK6Bj
InChI InChI=1S/C22H21FN2OS2/c1-14(2)11-12-25-21(26)20-19(16-8-4-6-10-18(16)28-20)24-22(25)27-13-15-7-3-5-9-17(15)23/h3-10,14H,11-13H2,1-2H3
InChIKey WLMZNRLJZVSEQZ-UHFFFAOYSA-N
Mol Weight 412.54 g/mol
Molecular Formula C22H21FN2OS2
Exact Mass 412.107934 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IjWOuhoxXnI
Name 2-[(2-fluorobenzyl)sulfanyl]-3-isopentyl[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 412.107933814 u
Formula C22H21FN2OS2
InChI InChI=1S/C22H21FN2OS2/c1-14(2)11-12-25-21(26)20-19(16-8-4-6-10-18(16)28-20)24-22(25)27-13-15-7-3-5-9-17(15)23/h3-10,14H,11-13H2,1-2H3
InChIKey WLMZNRLJZVSEQZ-UHFFFAOYSA-N
Molecular Weight 412.541 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6649
Solvent DMSO-d6
Source Vendor ID: NMR/12328929