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N-(2-bromo-4-methylphenyl)-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-(2-bromo-4-methylphenyl)-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 H8aOkEkEWNQ
InChI InChI=1S/C25H21BrClN3O2S2/c1-14-6-11-19(18(26)12-14)28-21(31)13-33-25-29-23-22(17-4-2-3-5-20(17)34-23)24(32)30(25)16-9-7-15(27)8-10-16/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey OPDFWNFUFLIMTA-UHFFFAOYSA-N
Mol Weight 574.94 g/mol
Molecular Formula C25H21BrClN3O2S2
Exact Mass 572.99471 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CJNAQK4NTMU
Name N-(2-bromo-4-methylphenyl)-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/C25H21BrClN3O2S2/c1-14-6-11-19(18(26)12-14)28-21(31)13-33-25-29-23-22(17-4-2-3-5-20(17)34-23)24(32)30(25)16-9-7-15(27)8-10-16/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey OPDFWNFUFLIMTA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17389
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: D25567; Labnumber: GRES-04650; SBI_ID: SBI-017392
Temperature 308 °C