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2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile

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2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
SpectraBase Compound ID GkWSZl1uA9D
InChI InChI=1S/C28H24ClFN4O/c1-16-9-17(2)22(10-18(16)13-35-25-8-7-19(30)11-24(25)29)26-21-6-4-3-5-20(21)23(12-31)27(34)28(26,14-32)15-33/h5,7-11,21,26H,3-4,6,13,34H2,1-2H3
InChIKey PBROHSRWLHJUEW-UHFFFAOYSA-N
Mol Weight 486.98 g/mol
Molecular Formula C28H24ClFN4O
Exact Mass 486.162267 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3SkPwPLnx5K
Name 2-amino-4-{5-[(2-chloro-4-fluorophenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
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/C28H24ClFN4O/c1-16-9-17(2)22(10-18(16)13-35-25-8-7-19(30)11-24(25)29)26-21-6-4-3-5-20(21)23(12-31)27(34)28(26,14-32)15-33/h5,7-11,21,26H,3-4,6,13,34H2,1-2H3
InChIKey PBROHSRWLHJUEW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11421
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/1009936; UBI_ID: UBI-011424
Temperature 308 °C