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1-ethyl-3-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
SpectraBase Compound ID INvrsio0vYq
InChI InChI=1S/C23H20N2O3S/c1-2-19-16-9-5-4-8-15(16)18(12-24)22(25-19)29-13-20(26)17-11-14-7-3-6-10-21(14)28-23(17)27/h3,6-7,10-11H,2,4-5,8-9,13H2,1H3
InChIKey GZAOLZIVCBYUFJ-UHFFFAOYSA-N
Mol Weight 404.48 g/mol
Molecular Formula C23H20N2O3S
Exact Mass 404.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JQLIXBKRelb
Name 1-ethyl-3-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]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/C23H20N2O3S/c1-2-19-16-9-5-4-8-15(16)18(12-24)22(25-19)29-13-20(26)17-11-14-7-3-6-10-21(14)28-23(17)27/h3,6-7,10-11H,2,4-5,8-9,13H2,1H3
InChIKey GZAOLZIVCBYUFJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13312
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: 101549; Labnumber: ULGS3-062; VK_ID: VK-013317
Temperature 315 °C