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2-amino-4-{5-[(2-bromophenoxy)methyl]-2-furyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID JXmOyAm6xg3
InChI InChI=1S/C23H22BrN3O2/c24-18-8-5-6-10-20(18)28-14-15-11-12-21(29-15)22-16-7-3-1-2-4-9-19(16)27-23(26)17(22)13-25/h5-6,8,10-12H,1-4,7,9,14H2,(H2,26,27)
InChIKey REXDKBMOKAYADV-UHFFFAOYSA-N
Mol Weight 452.35 g/mol
Molecular Formula C23H22BrN3O2
Exact Mass 451.08954 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Blhkmf6KT9
Name 2-amino-4-{5-[(2-bromophenoxy)methyl]-2-furyl}-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/C23H22BrN3O2/c24-18-8-5-6-10-20(18)28-14-15-11-12-21(29-15)22-16-7-3-1-2-4-9-19(16)27-23(26)17(22)13-25/h5-6,8,10-12H,1-4,7,9,14H2,(H2,26,27)
InChIKey REXDKBMOKAYADV-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3100
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: 9314551; UBI_ID: UBI-003101
Temperature 308 °C