For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 2FKeItwIehT
InChI InChI=1S/C27H28ClN3S/c1-17-13-18(2)23(14-19(17)16-32-21-11-9-20(28)10-12-21)26-22-7-5-3-4-6-8-25(22)31-27(30)24(26)15-29/h9-14H,3-8,16H2,1-2H3,(H2,30,31)
InChIKey RXJUJPNIVMTEDQ-UHFFFAOYSA-N
Mol Weight 462.06 g/mol
Molecular Formula C27H28ClN3S
Exact Mass 461.169247 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Fw8HAgB73M8
Name 2-amino-4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-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/C27H28ClN3S/c1-17-13-18(2)23(14-19(17)16-32-21-11-9-20(28)10-12-21)26-22-7-5-3-4-6-8-25(22)31-27(30)24(26)15-29/h9-14H,3-8,16H2,1-2H3,(H2,30,31)
InChIKey RXJUJPNIVMTEDQ-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14655
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/1019892; UBI_ID: UBI-014658
Temperature 300 °C