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N-(4-bromophenyl)-2-{[3-(4-methylphenyl)-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-bromophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 3tQqxVFUVb4
InChI InChI=1S/C25H22BrN3O2S2/c1-15-6-12-18(13-7-15)29-24(31)22-19-4-2-3-5-20(19)33-23(22)28-25(29)32-14-21(30)27-17-10-8-16(26)9-11-17/h6-13H,2-5,14H2,1H3,(H,27,30)
InChIKey GXJHVEBOXBFKJP-UHFFFAOYSA-N
Mol Weight 540.49 g/mol
Molecular Formula C25H22BrN3O2S2
Exact Mass 539.033682 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FeGvSmi6F7r
Name N-(4-bromophenyl)-2-{[3-(4-methylphenyl)-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/C25H22BrN3O2S2/c1-15-6-12-18(13-7-15)29-24(31)22-19-4-2-3-5-20(19)33-23(22)28-25(29)32-14-21(30)27-17-10-8-16(26)9-11-17/h6-13H,2-5,14H2,1H3,(H,27,30)
InChIKey GXJHVEBOXBFKJP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17338
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: D25604; Labnumber: GRES-04693; SBI_ID: SBI-017341
Temperature 306 °C