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

*Links on SpectraBase are not permalinks.

2-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride

View entire compound with spectra: 1 NMR

2-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride
SpectraBase Compound ID BfbIFRJIFSu
InChI InChI=1S/C22H21FN4O2S2.ClH/c1-26(2)11-12-27-21(29)20-19(16-5-3-4-6-17(16)31-20)25-22(27)30-13-18(28)24-15-9-7-14(23)8-10-15;/h3-10H,11-13H2,1-2H3,(H,24,28);1H
InChIKey RZODJSIPXAATTI-UHFFFAOYSA-N
Mol Weight 493.02 g/mol
Molecular Formula C22H22ClFN4O2S2
Exact Mass 492.085674 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 L175uOHl9Jz
Name 2-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)-N,N-dimethylethanaminium chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.085674173 u
Formula C22H22ClFN4O2S2
InChI InChI=1S/C22H21FN4O2S2.ClH/c1-26(2)11-12-27-21(29)20-19(16-5-3-4-6-17(16)31-20)25-22(27)30-13-18(28)24-15-9-7-14(23)8-10-15;/h3-10H,11-13H2,1-2H3,(H,24,28);1H
InChIKey RZODJSIPXAATTI-UHFFFAOYSA-N
Molecular Weight 493.015 g/mol
NMR Offset 17.9985
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9823
Solvent DMSO-d6
Source Vendor ID: NMR/13229887