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6-[(3,4-dichlorobenzyl)sulfanyl]-3,3-dimethyl-8-(4-morpholinyl)-3,4-dihydro-1H-thiino[3,4-c]pyridine-5-carbonitrile
SpectraBase Compound ID KyEdaSfooBX
InChI InChI=1S/C22H23Cl2N3OS2/c1-22(2)10-15-16(11-25)21(29-12-14-3-4-18(23)19(24)9-14)26-20(17(15)13-30-22)27-5-7-28-8-6-27/h3-4,9H,5-8,10,12-13H2,1-2H3
InChIKey KMFCZVGQSADCPS-UHFFFAOYSA-N
Mol Weight 480.47 g/mol
Molecular Formula C22H23Cl2N3OS2
Exact Mass 479.06596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2nxbXYaOQHy
Name 6-[(3,4-dichlorobenzyl)sulfanyl]-3,3-dimethyl-8-(4-morpholinyl)-3,4-dihydro-1H-thiino[3,4-c]pyridine-5-carbonitrile
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/C22H23Cl2N3OS2/c1-22(2)10-15-16(11-25)21(29-12-14-3-4-18(23)19(24)9-14)26-20(17(15)13-30-22)27-5-7-28-8-6-27/h3-4,9H,5-8,10,12-13H2,1-2H3
InChIKey KMFCZVGQSADCPS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14153
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: D97038; Labnumber: AMIR2-6044; SBI_ID: SBI-014156
Temperature 306 °C