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2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID Jrf8DwgrZEn
InChI InChI=1S/C26H26BrN3O2/c1-31-24-12-11-17(13-18(24)16-32-20-8-6-7-19(27)14-20)25-21-9-4-2-3-5-10-23(21)30-26(29)22(25)15-28/h6-8,11-14H,2-5,9-10,16H2,1H3,(H2,29,30)
InChIKey NVGFFPFVPLMHOL-UHFFFAOYSA-N
Mol Weight 492.42 g/mol
Molecular Formula C26H26BrN3O2
Exact Mass 491.12084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6RDh6EarmHe
Name 2-amino-4-{3-[(3-bromophenoxy)methyl]-4-methoxyphenyl}-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/C26H26BrN3O2/c1-31-24-12-11-17(13-18(24)16-32-20-8-6-7-19(27)14-20)25-21-9-4-2-3-5-10-23(21)30-26(29)22(25)15-28/h6-8,11-14H,2-5,9-10,16H2,1H3,(H2,29,30)
InChIKey NVGFFPFVPLMHOL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7274
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: 9685924; UBI_ID: UBI-007277
Temperature 318 °C