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

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2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID EEk7rqhhxj3
InChI InChI=1S/C26H24ClN3O4S2/c1-33-18-11-16(12-19(13-18)34-2)28-22(31)14-35-26-29-24-23(20-5-3-4-6-21(20)36-24)25(32)30(26)17-9-7-15(27)8-10-17/h7-13H,3-6,14H2,1-2H3,(H,28,31)
InChIKey MDTOCUNDFMEVSQ-UHFFFAOYSA-N
Mol Weight 542.07 g/mol
Molecular Formula C26H24ClN3O4S2
Exact Mass 541.089676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BNyzop1QmMw
Name 2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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/C26H24ClN3O4S2/c1-33-18-11-16(12-19(13-18)34-2)28-22(31)14-35-26-29-24-23(20-5-3-4-6-21(20)36-24)25(32)30(26)17-9-7-15(27)8-10-17/h7-13H,3-6,14H2,1-2H3,(H,28,31)
InChIKey MDTOCUNDFMEVSQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17132
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: D25553; Labnumber: GRES-04633; SBI_ID: SBI-017135
Temperature 308 °C