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2-[(4-methoxybenzyl)sulfanyl]-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 9LY13ZD2cqw
InChI InChI=1S/C22H20N2O2S2/c1-14-15(2)28-20-19(14)21(25)24(17-7-5-4-6-8-17)22(23-20)27-13-16-9-11-18(26-3)12-10-16/h4-12H,13H2,1-3H3
InChIKey YXJPVIQILLVHCZ-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 EvQbwbVSvR0
Name thieno[2,3-d]pyrimidin-4(3H)-one, 2-[[(4-methoxyphenyl)methyl]thio]-5,6-dimethyl-3-phenyl-
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/c1-14-15(2)28-20-19(14)21(25)24(17-7-5-4-6-8-17)22(23-20)27-13-16-9-11-18(26-3)12-10-16/h4-12H,13H2,1-3H3
InChIKey YXJPVIQILLVHCZ-UHFFFAOYSA-N
Molecular Weight 408.534 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10986
Solvent DMSO-d6
Source Vendor ID: NMR/10251175; Lab Info: LP; Lab Number: LP-2100655
Temperature 23.85 °C