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methyl {[4-oxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
SpectraBase Compound ID 5IXn9HdWiGL
InChI InChI=1S/C21H22N2O3S2/c1-26-17(24)13-27-21-22-19-18(15-9-5-6-10-16(15)28-19)20(25)23(21)12-11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3
InChIKey QXUFRFQSVLBKIZ-UHFFFAOYSA-N
Mol Weight 414.54 g/mol
Molecular Formula C21H22N2O3S2
Exact Mass 414.107185 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9jWW8LYM6TN
Name methyl {[4-oxo-3-(2-phenylethyl)-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/C21H22N2O3S2/c1-26-17(24)13-27-21-22-19-18(15-9-5-6-10-16(15)28-19)20(25)23(21)12-11-14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-13H2,1H3
InChIKey QXUFRFQSVLBKIZ-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12125
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: 801143; Labnumber: AE95-680; VK_ID: VK-012130
Temperature 318 °C