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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

2-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID B1RK7KwQpF3
InChI InChI=1S/C24H23ClFN3OS/c1-14-15(13-30-21-9-8-16(26)11-19(21)25)10-22(31-14)23-17-6-4-2-3-5-7-20(17)29-24(28)18(23)12-27/h8-11H,2-7,13H2,1H3,(H2,28,29)
InChIKey ACTWNHSMNVPIDE-UHFFFAOYSA-N
Mol Weight 455.98 g/mol
Molecular Formula C24H23ClFN3OS
Exact Mass 455.123439 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 3hC6PvgxTfj
Name 2-amino-4-{4-[(2-chloro-4-fluorophenoxy)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/C24H23ClFN3OS/c1-14-15(13-30-21-9-8-16(26)11-19(21)25)10-22(31-14)23-17-6-4-2-3-5-7-20(17)29-24(28)18(23)12-27/h8-11H,2-7,13H2,1H3,(H2,28,29)
InChIKey ACTWNHSMNVPIDE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14179
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/1011093; UBI_ID: UBI-014182
Temperature 308 °C