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N-[4-(benzyloxy)phenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

View entire compound with spectra: 1 NMR

N-[4-(benzyloxy)phenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 9XoZE33Y6Rr
InChI InChI=1S/C31H26ClN3O3S2/c32-21-10-14-23(15-11-21)35-30(37)28-25-8-4-5-9-26(25)40-29(28)34-31(35)39-19-27(36)33-22-12-16-24(17-13-22)38-18-20-6-2-1-3-7-20/h1-3,6-7,10-17H,4-5,8-9,18-19H2,(H,33,36)
InChIKey DVXBQGVZFFBHCX-UHFFFAOYSA-N
Mol Weight 588.14 g/mol
Molecular Formula C31H26ClN3O3S2
Exact Mass 587.110412 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LMeiQcpA1Eo
Name N-[4-(benzyloxy)phenyl]-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}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/C31H26ClN3O3S2/c32-21-10-14-23(15-11-21)35-30(37)28-25-8-4-5-9-26(25)40-29(28)34-31(35)39-19-27(36)33-22-12-16-24(17-13-22)38-18-20-6-2-1-3-7-20/h1-3,6-7,10-17H,4-5,8-9,18-19H2,(H,33,36)
InChIKey DVXBQGVZFFBHCX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17137
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: D25559; Labnumber: GRES-04639; SBI_ID: SBI-017140
Temperature 308 °C