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2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
SpectraBase Compound ID H6ZxO2TVHMm
InChI InChI=1S/C27H26F3N3O2/c1-34-24-14-18(11-12-23(24)35-16-17-7-6-8-19(13-17)27(28,29)30)25-20-9-4-2-3-5-10-22(20)33-26(32)21(25)15-31/h6-8,11-14H,2-5,9-10,16H2,1H3,(H2,32,33)
InChIKey AAFKHXHXFJZDOX-UHFFFAOYSA-N
Mol Weight 481.52 g/mol
Molecular Formula C27H26F3N3O2
Exact Mass 481.197712 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IKvYxjP2UIq
Name 2-amino-4-(3-methoxy-4-{[3-(trifluoromethyl)benzyl]oxy}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/C27H26F3N3O2/c1-34-24-14-18(11-12-23(24)35-16-17-7-6-8-19(13-17)27(28,29)30)25-20-9-4-2-3-5-10-22(20)33-26(32)21(25)15-31/h6-8,11-14H,2-5,9-10,16H2,1H3,(H2,32,33)
InChIKey AAFKHXHXFJZDOX-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12528
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/9122799; UBI_ID: UBI-012531
Temperature 313 °C