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

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N-(4-bromo-2-methylphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID DIbLNPVf4dv
InChI InChI=1S/C26H24BrN3O3S2/c1-15-13-16(27)7-12-20(15)28-22(31)14-34-26-29-24-23(19-5-3-4-6-21(19)35-24)25(32)30(26)17-8-10-18(33-2)11-9-17/h7-13H,3-6,14H2,1-2H3,(H,28,31)
InChIKey SYYJUEBZULOUHF-UHFFFAOYSA-N
Mol Weight 570.52 g/mol
Molecular Formula C26H24BrN3O3S2
Exact Mass 569.044247 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6sDWPW3Vfdi
Name N-(4-bromo-2-methylphenyl)-2-{[3-(4-methoxyphenyl)-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/C26H24BrN3O3S2/c1-15-13-16(27)7-12-20(15)28-22(31)14-34-26-29-24-23(19-5-3-4-6-21(19)35-24)25(32)30(26)17-8-10-18(33-2)11-9-17/h7-13H,3-6,14H2,1-2H3,(H,28,31)
InChIKey SYYJUEBZULOUHF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17121
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: D25541; Labnumber: GRES-04621; SBI_ID: SBI-017124
Temperature 308 °C