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methyl 3-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
SpectraBase Compound ID Cngl1VYuEq9
InChI InChI=1S/C21H22N2O4S2/c1-26-14-9-7-13(8-10-14)23-20(25)18-15-5-3-4-6-16(15)29-19(18)22-21(23)28-12-11-17(24)27-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey UPOBGKVKLNFFAE-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C21H22N2O4S2
Exact Mass 430.1021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1WeGaaubWoy
Name methyl 3-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanoate
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/C21H22N2O4S2/c1-26-14-9-7-13(8-10-14)23-20(25)18-15-5-3-4-6-16(15)29-19(18)22-21(23)28-12-11-17(24)27-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey UPOBGKVKLNFFAE-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11932
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: 800751; Labnumber: AE95-423; VK_ID: VK-011937
Temperature 318 °C