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2-amino-4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 4I8JSnAEDRo
InChI InChI=1S/C25H26ClN3OS/c1-2-22-16(15-30-21-12-8-7-10-19(21)26)13-23(31-22)24-17-9-5-3-4-6-11-20(17)29-25(28)18(24)14-27/h7-8,10,12-13H,2-6,9,11,15H2,1H3,(H2,28,29)
InChIKey ZLBARYSLPYVQEM-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 JW1viCbnyAH
Name 2-amino-4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-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/c1-2-22-16(15-30-21-12-8-7-10-19(21)26)13-23(31-22)24-17-9-5-3-4-6-11-20(17)29-25(28)18(24)14-27/h7-8,10,12-13H,2-6,9,11,15H2,1H3,(H2,28,29)
InChIKey ZLBARYSLPYVQEM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18286
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/1030193; Labnumber: TSI4018; UZI_ID: UZI-018293
Temperature 318 °C