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3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

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3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
SpectraBase Compound ID E1rangIYjw9
InChI InChI=1S/C26H24N2O3S2/c1-31-19-14-12-18(13-15-19)28-25(30)23-20-10-6-3-7-11-22(20)33-24(23)27-26(28)32-16-21(29)17-8-4-2-5-9-17/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3
InChIKey XDJCJPHOQFBUCF-UHFFFAOYSA-N
Mol Weight 476.61 g/mol
Molecular Formula C26H24N2O3S2
Exact Mass 476.122835 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3F19plA8xKW
Name 3-(4-methoxyphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
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/C26H24N2O3S2/c1-31-19-14-12-18(13-15-19)28-25(30)23-20-10-6-3-7-11-22(20)33-24(23)27-26(28)32-16-21(29)17-8-4-2-5-9-17/h2,4-5,8-9,12-15H,3,6-7,10-11,16H2,1H3
InChIKey XDJCJPHOQFBUCF-UHFFFAOYSA-N
NMR Offset 15.3548
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12107
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: 801158; Labnumber: AE95-698; VK_ID: VK-012112
Temperature 318 °C