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2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methyl-2-thienyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID L4MxlGA4VD8
InChI InChI=1S/C23H22ClN3OS/c1-14-15(13-28-17-9-7-16(24)8-10-17)11-21(29-14)22-18-5-3-2-4-6-20(18)27-23(26)19(22)12-25/h7-11H,2-6,13H2,1H3,(H2,26,27)
InChIKey OWMZSIJQASYJKG-UHFFFAOYSA-N
Mol Weight 423.96 g/mol
Molecular Formula C23H22ClN3OS
Exact Mass 423.117211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dluli8e8xpy
Name 2-amino-4-{4-[(4-chlorophenoxy)methyl]-5-methyl-2-thienyl}-6,7,8,9-tetrahydro-5H-cyclohepta[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/C23H22ClN3OS/c1-14-15(13-28-17-9-7-16(24)8-10-17)11-21(29-14)22-18-5-3-2-4-6-20(18)27-23(26)19(22)12-25/h7-11H,2-6,13H2,1H3,(H2,26,27)
InChIKey OWMZSIJQASYJKG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14193
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/1011152; UBI_ID: UBI-014196
Temperature 308 °C