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3-isopentyl-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID d4ixJLf9iA
InChI InChI=1S/C23H22N2O2S2/c1-15(2)12-13-25-22(27)21-20(17-10-6-7-11-19(17)29-21)24-23(25)28-14-18(26)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChIKey AFZUPDSOIFNUOK-UHFFFAOYSA-N
Mol Weight 422.56 g/mol
Molecular Formula C23H22N2O2S2
Exact Mass 422.11227 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4hoHJGza8bB
Name 3-isopentyl-2-[(2-oxo-2-phenylethyl)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 422.112270302 u
Formula C23H22N2O2S2
InChI InChI=1S/C23H22N2O2S2/c1-15(2)12-13-25-22(27)21-20(17-10-6-7-11-19(17)29-21)24-23(25)28-14-18(26)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3
InChIKey AFZUPDSOIFNUOK-UHFFFAOYSA-N
Molecular Weight 422.561 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6652
Solvent DMSO-d6
Source Vendor ID: NMR/12328935