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1-ethyl-3-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile
SpectraBase Compound ID KDwaHKhoolc
InChI InChI=1S/C22H24N4OS/c1-2-18-16-9-4-3-8-15(16)17(14-23)21(24-18)28-13-7-12-26-20-11-6-5-10-19(20)25-22(26)27/h5-6,10-11H,2-4,7-9,12-13H2,1H3,(H,25,27)
InChIKey ZEMOWQPMOPDCAX-UHFFFAOYSA-N
Mol Weight 392.52 g/mol
Molecular Formula C22H24N4OS
Exact Mass 392.167083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L3b8nwaonaV
Name 1-ethyl-3-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]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/C22H24N4OS/c1-2-18-16-9-4-3-8-15(16)17(14-23)21(24-18)28-13-7-12-26-20-11-6-5-10-19(20)25-22(26)27/h5-6,10-11H,2-4,7-9,12-13H2,1H3,(H,25,27)
InChIKey ZEMOWQPMOPDCAX-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_12866
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: 101550; Labnumber: ULGS3-076; VK_ID: VK-012871
Temperature 308 °C