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2-amino-4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

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2-amino-4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 5CLfYZqHDHU
InChI InChI=1S/C26H22F5N3O2/c1-35-18-9-8-13(10-14(18)12-36-25-23(30)21(28)20(27)22(29)24(25)31)19-15-6-4-2-3-5-7-17(15)34-26(33)16(19)11-32/h8-10H,2-7,12H2,1H3,(H2,33,34)
InChIKey ZLBYHYPUEUMDLS-UHFFFAOYSA-N
Mol Weight 503.47 g/mol
Molecular Formula C26H22F5N3O2
Exact Mass 503.163218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GG0SxBtgXmv
Name 2-amino-4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-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/C26H22F5N3O2/c1-35-18-9-8-13(10-14(18)12-36-25-23(30)21(28)20(27)22(29)24(25)31)19-15-6-4-2-3-5-7-17(15)34-26(33)16(19)11-32/h8-10H,2-7,12H2,1H3,(H2,33,34)
InChIKey ZLBYHYPUEUMDLS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12693
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/9124401; UBI_ID: UBI-012696
Temperature 318 °C