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2-amino-4-{4-[(4-chloro-2-methylphenoxy)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-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 9HhccHVVblg
InChI InChI=1S/C25H26ClN3OS/c1-15-11-18(26)9-10-22(15)30-14-17-12-23(31-16(17)2)24-19-7-5-3-4-6-8-21(19)29-25(28)20(24)13-27/h9-12H,3-8,14H2,1-2H3,(H2,28,29)
InChIKey GKXQXZZEFRBNIC-UHFFFAOYSA-N
Mol Weight 452.02 g/mol
Molecular Formula C25H26ClN3OS
Exact Mass 451.148511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LPEKXU8xcY5
Name 2-amino-4-{4-[(4-chloro-2-methylphenoxy)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/C25H26ClN3OS/c1-15-11-18(26)9-10-22(15)30-14-17-12-23(31-16(17)2)24-19-7-5-3-4-6-8-21(19)29-25(28)20(24)13-27/h9-12H,3-8,14H2,1-2H3,(H2,28,29)
InChIKey GKXQXZZEFRBNIC-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14473
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/1017412; UBI_ID: UBI-014476
Temperature 300 °C