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2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

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2-amino-4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 8XePHnHh33P
InChI InChI=1S/C24H24ClN3OS/c1-14-10-17(25)8-9-21(14)29-13-16-11-22(30-15(16)2)23-18-6-4-3-5-7-20(18)28-24(27)19(23)12-26/h8-11H,3-7,13H2,1-2H3,(H2,27,28)
InChIKey WDRGRQMFAHHTEK-UHFFFAOYSA-N
Mol Weight 437.99 g/mol
Molecular Formula C24H24ClN3OS
Exact Mass 437.132861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wofbjmjsHy
Name 2-amino-4-{4-[(4-chloro-2-methylphenoxy)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/C24H24ClN3OS/c1-14-10-17(25)8-9-21(14)29-13-16-11-22(30-15(16)2)23-18-6-4-3-5-7-20(18)28-24(27)19(23)12-26/h8-11H,3-7,13H2,1-2H3,(H2,27,28)
InChIKey WDRGRQMFAHHTEK-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14517
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/1018445; UBI_ID: UBI-014520
Temperature 300 °C