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methyl {[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
SpectraBase Compound ID uU2b8MJOiz
InChI InChI=1S/C20H20N2O3S2/c1-12-7-9-13(10-8-12)22-19(24)17-14-5-3-4-6-15(14)27-18(17)21-20(22)26-11-16(23)25-2/h7-10H,3-6,11H2,1-2H3
InChIKey VWIPGSBRLLDKFI-UHFFFAOYSA-N
Mol Weight 400.51 g/mol
Molecular Formula C20H20N2O3S2
Exact Mass 400.091535 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Y9vJumsK7T
Name methyl {[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H20N2O3S2/c1-12-7-9-13(10-8-12)22-19(24)17-14-5-3-4-6-15(14)27-18(17)21-20(22)26-11-16(23)25-2/h7-10H,3-6,11H2,1-2H3
InChIKey VWIPGSBRLLDKFI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17365
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D25644; Labnumber: GRES-04749; SBI_ID: SBI-017368
Temperature 306 °C