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3-(4-bromophenyl)-2-[(2,6-dichlorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID AnJBdBSd7eP
InChI InChI=1S/C23H17BrCl2N2OS2/c24-13-8-10-14(11-9-13)28-22(29)20-15-4-1-2-7-19(15)31-21(20)27-23(28)30-12-16-17(25)5-3-6-18(16)26/h3,5-6,8-11H,1-2,4,7,12H2
InChIKey OHHXZMRLGZDLMJ-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 K5aRn8IomSR
Name 3-(4-bromophenyl)-2-[(2,6-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/c24-13-8-10-14(11-9-13)28-22(29)20-15-4-1-2-7-19(15)31-21(20)27-23(28)30-12-16-17(25)5-3-6-18(16)26/h3,5-6,8-11H,1-2,4,7,12H2
InChIKey OHHXZMRLGZDLMJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17084
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: D25498; Labnumber: GRES-04573; SBI_ID: SBI-017087
Temperature 308 °C