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3-butyl-2-[(2-oxo-2-phenylethyl)sulfanyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
SpectraBase Compound ID AjuQTimHYFg
InChI InChI=1S/C22H20N2O2S2/c1-2-3-13-24-21(26)20-19(16-11-7-8-12-18(16)28-20)23-22(24)27-14-17(25)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKey QYALOPHFNGWZAY-UHFFFAOYSA-N
Mol Weight 408.53 g/mol
Molecular Formula C22H20N2O2S2
Exact Mass 408.09662 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ACeJXT4qEr1
Name 3-butyl-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 408.096620238 u
Formula C22H20N2O2S2
InChI InChI=1S/C22H20N2O2S2/c1-2-3-13-24-21(26)20-19(16-11-7-8-12-18(16)28-20)23-22(24)27-14-17(25)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKey QYALOPHFNGWZAY-UHFFFAOYSA-N
Molecular Weight 408.534 g/mol
NMR Offset 17.9986
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9849
Solvent DMSO-d6
Source Vendor ID: NMR/13229922