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2-amino-4-{4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 8JHwE9eQds2
InChI InChI=1S/C24H24BrN3OS/c1-15-16(14-29-21-11-7-6-9-19(21)25)12-22(30-15)23-17-8-4-2-3-5-10-20(17)28-24(27)18(23)13-26/h6-7,9,11-12H,2-5,8,10,14H2,1H3,(H2,27,28)
InChIKey PDKOTYULMVEXSU-UHFFFAOYSA-N
Mol Weight 482.44 g/mol
Molecular Formula C24H24BrN3OS
Exact Mass 481.082347 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IMYEJM053sv
Name 2-amino-4-{4-[(2-bromophenoxy)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/C24H24BrN3OS/c1-15-16(14-29-21-11-7-6-9-19(21)25)12-22(30-15)23-17-8-4-2-3-5-10-20(17)28-24(27)18(23)13-26/h6-7,9,11-12H,2-5,8,10,14H2,1H3,(H2,27,28)
InChIKey PDKOTYULMVEXSU-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14457
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/1017020; UBI_ID: UBI-014460
Temperature 300 °C