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3-(4-bromophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 8OttN4ev3XR
InChI InChI=1S/C23H17BrCl2N2OS2/c24-14-6-9-16(10-7-14)28-22(29)20-17-3-1-2-4-19(17)31-21(20)27-23(28)30-12-13-5-8-15(25)11-18(13)26/h5-11H,1-4,12H2
InChIKey WQWDCBBFBJUPEF-UHFFFAOYSA-N
Mol Weight 552.33 g/mol
Molecular Formula C23H17BrCl2N2OS2
Exact Mass 549.934274 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ccbZ6UhJph
Name 3-(4-bromophenyl)-2-[(2,4-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
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/C23H17BrCl2N2OS2/c24-14-6-9-16(10-7-14)28-22(29)20-17-3-1-2-4-19(17)31-21(20)27-23(28)30-12-13-5-8-15(25)11-18(13)26/h5-11H,1-4,12H2
InChIKey WQWDCBBFBJUPEF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16507
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: D25514; Labnumber: GRES-04589; SBI_ID: SBI-016510
Temperature 318 °C