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2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
SpectraBase Compound ID F3yGboPkUrd
InChI InChI=1S/C31H27N3O4S2/c1-37-22-17-13-21(14-18-22)34-30(36)28-25-9-5-6-10-26(25)40-29(28)33-31(34)39-19-27(35)32-20-11-15-24(16-12-20)38-23-7-3-2-4-8-23/h2-4,7-8,11-18H,5-6,9-10,19H2,1H3,(H,32,35)
InChIKey KYAHONVOJOESDB-UHFFFAOYSA-N
Mol Weight 569.69 g/mol
Molecular Formula C31H27N3O4S2
Exact Mass 569.144299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K1Pf3IWygdn
Name 2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide
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/C31H27N3O4S2/c1-37-22-17-13-21(14-18-22)34-30(36)28-25-9-5-6-10-26(25)40-29(28)33-31(34)39-19-27(35)32-20-11-15-24(16-12-20)38-23-7-3-2-4-8-23/h2-4,7-8,11-18H,5-6,9-10,19H2,1H3,(H,32,35)
InChIKey KYAHONVOJOESDB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17110
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: D25528; Labnumber: GRES-04606; SBI_ID: SBI-017113
Temperature 308 °C