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1-benzyl-4-(2-[(2-fluorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium chloride
SpectraBase Compound ID 7crNsaSVQgq
InChI InChI=1S/C29H26FN3OS2.ClH/c30-24-12-6-4-10-21(24)19-35-29-31-26-23-11-5-7-13-25(23)36-27(26)28(34)33(29)22-14-16-32(17-15-22)18-20-8-2-1-3-9-20;/h1-13,22H,14-19H2;1H
InChIKey LIKFZXNTFGJRRP-UHFFFAOYSA-N
Mol Weight 552.13 g/mol
Molecular Formula C29H27ClFN3OS2
Exact Mass 551.126811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CTD4lNXSpjv
Name 1-benzyl-4-(2-[(2-fluorobenzyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl)piperidinium 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 551.126810711 u
Formula C29H27ClFN3OS2
InChI InChI=1S/C29H26FN3OS2.ClH/c30-24-12-6-4-10-21(24)19-35-29-31-26-23-11-5-7-13-25(23)36-27(26)28(34)33(29)22-14-16-32(17-15-22)18-20-8-2-1-3-9-20;/h1-13,22H,14-19H2;1H
InChIKey LIKFZXNTFGJRRP-UHFFFAOYSA-N
Molecular Weight 552.126 g/mol
NMR Offset 17.9982
NMR Spectrometer Frequency 500.136
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9828
Solvent DMSO-d6
Source Vendor ID: NMR/13229897