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1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
SpectraBase Compound ID GnwvFnXKeK2
InChI InChI=1S/C25H21FN2O2S/c1-30-19-12-8-16(9-13-19)23(29)15-31-25-22(14-27)20-4-2-3-5-21(20)24(28-25)17-6-10-18(26)11-7-17/h6-13H,2-5,15H2,1H3
InChIKey FSDVDERWMJINQC-UHFFFAOYSA-N
Mol Weight 432.51 g/mol
Molecular Formula C25H21FN2O2S
Exact Mass 432.130777 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JMdvyaEsapv
Name 1-(4-fluorophenyl)-3-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
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/C25H21FN2O2S/c1-30-19-12-8-16(9-13-19)23(29)15-31-25-22(14-27)20-4-2-3-5-21(20)24(28-25)17-6-10-18(26)11-7-17/h6-13H,2-5,15H2,1H3
InChIKey FSDVDERWMJINQC-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10674
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: UZI/7105724; Labnumber: LI-0000064; UZI_ID: UZI-010676
Temperature 308 °C