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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 NMR

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 4hf6ToNCrru
InChI InChI=1S/C26H21ClF3N3O3S2/c1-36-16-9-7-15(8-10-16)33-24(35)22-17-4-2-3-5-20(17)38-23(22)32-25(33)37-13-21(34)31-19-12-14(26(28,29)30)6-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,31,34)
InChIKey XSYDMTJTFGNXIO-UHFFFAOYSA-N
Mol Weight 580.04 g/mol
Molecular Formula C26H21ClF3N3O3S2
Exact Mass 579.066496 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 6pcuWyBXAk2
Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methoxyphenyl)-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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H21ClF3N3O3S2/c1-36-16-9-7-15(8-10-16)33-24(35)22-17-4-2-3-5-20(17)38-23(22)32-25(33)37-13-21(34)31-19-12-14(26(28,29)30)6-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,31,34)
InChIKey XSYDMTJTFGNXIO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17109
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: D25526; Labnumber: GRES-04604; SBI_ID: SBI-017112
Temperature 308 °C