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2-amino-4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
SpectraBase Compound ID 7wUg9ImDRDk
InChI InChI=1S/C25H20F5N3O2/c1-34-17-8-7-12(18-14-5-3-2-4-6-16(14)33-25(32)15(18)10-31)9-13(17)11-35-24-22(29)20(27)19(26)21(28)23(24)30/h7-9H,2-6,11H2,1H3,(H2,32,33)
InChIKey CAJVEGJJBPAQPX-UHFFFAOYSA-N
Mol Weight 489.45 g/mol
Molecular Formula C25H20F5N3O2
Exact Mass 489.147568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CIacIELv9w5
Name 2-amino-4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-6,7,8,9-tetrahydro-5H-cyclohepta[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/C25H20F5N3O2/c1-34-17-8-7-12(18-14-5-3-2-4-6-16(14)33-25(32)15(18)10-31)9-13(17)11-35-24-22(29)20(27)19(26)21(28)23(24)30/h7-9H,2-6,11H2,1H3,(H2,32,33)
InChIKey CAJVEGJJBPAQPX-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12781
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/9125410; UBI_ID: UBI-012784
Temperature 318 °C