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

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2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
SpectraBase Compound ID 3C5aancCkzO
InChI InChI=1S/C26H24BrN3O2S2/c1-15-7-10-18(13-16(15)2)28-22(31)14-33-26-29-24-23(20-5-3-4-6-21(20)34-24)25(32)30(26)19-11-8-17(27)9-12-19/h7-13H,3-6,14H2,1-2H3,(H,28,31)
InChIKey QBDJVJUYTRACRY-UHFFFAOYSA-N
Mol Weight 554.52 g/mol
Molecular Formula C26H24BrN3O2S2
Exact Mass 553.049332 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FLWDfW5yFh
Name 2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)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/C26H24BrN3O2S2/c1-15-7-10-18(13-16(15)2)28-22(31)14-33-26-29-24-23(20-5-3-4-6-21(20)34-24)25(32)30(26)19-11-8-17(27)9-12-19/h7-13H,3-6,14H2,1-2H3,(H,28,31)
InChIKey QBDJVJUYTRACRY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17099
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: D25515; Labnumber: GRES-04591; SBI_ID: SBI-017102
Temperature 308 °C