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2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

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2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 2d5GtdNJMzL
InChI InChI=1S/C24H24ClN3S2/c1-15-16(14-29-18-10-8-17(25)9-11-18)12-22(30-15)23-19-6-4-2-3-5-7-21(19)28-24(27)20(23)13-26/h8-12H,2-7,14H2,1H3,(H2,27,28)
InChIKey CWBNPTQXBYHLPC-UHFFFAOYSA-N
Mol Weight 454.05 g/mol
Molecular Formula C24H24ClN3S2
Exact Mass 453.110018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kq4pPl5tpIP
Name 2-amino-4-(4-{[(4-chlorophenyl)sulfanyl]methyl}-5-methyl-2-thienyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-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/C24H24ClN3S2/c1-15-16(14-29-18-10-8-17(25)9-11-18)12-22(30-15)23-19-6-4-2-3-5-7-21(19)28-24(27)20(23)13-26/h8-12H,2-7,14H2,1H3,(H2,27,28)
InChIKey CWBNPTQXBYHLPC-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14348
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/1014437; UBI_ID: UBI-014351
Temperature 300 °C