For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID BLcBvC33e4S
InChI InChI=1S/C25H18BrClF3N3O2S2/c26-14-6-8-15(9-7-14)33-23(35)21-16-3-1-2-4-19(16)37-22(21)32-24(33)36-12-20(34)31-18-11-13(25(28,29)30)5-10-17(18)27/h5-11H,1-4,12H2,(H,31,34)
InChIKey MIYZWDGZXNMNJB-UHFFFAOYSA-N
Mol Weight 628.91 g/mol
Molecular Formula C25H18BrClF3N3O2S2
Exact Mass 626.966444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ffi2dBD9FnF
Name 2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]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/C25H18BrClF3N3O2S2/c26-14-6-8-15(9-7-14)33-23(35)21-16-3-1-2-4-19(16)37-22(21)32-24(33)36-12-20(34)31-18-11-13(25(28,29)30)5-10-17(18)27/h5-11H,1-4,12H2,(H,31,34)
InChIKey MIYZWDGZXNMNJB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17063
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: D25470; Labnumber: GRES-04544; SBI_ID: SBI-017066
Temperature 308 °C