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

View entire compound with spectra: 1 NMR

2-amino-4-{5-[(4-chloro-2-methylphenoxy)methyl]-2,4-dimethylphenyl}-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
SpectraBase Compound ID IdlEGmntQDT
InChI InChI=1S/C29H27ClN4O/c1-17-10-18(2)24(12-20(17)14-35-26-9-8-21(30)11-19(26)3)27-23-7-5-4-6-22(23)25(13-31)28(34)29(27,15-32)16-33/h6,8-12,23,27H,4-5,7,14,34H2,1-3H3
InChIKey FCYUMVYYYLEQEL-UHFFFAOYSA-N
Mol Weight 483.02 g/mol
Molecular Formula C29H27ClN4O
Exact Mass 482.187339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2j5vtrBotCq
Name 2-amino-4-{5-[(4-chloro-2-methylphenoxy)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/C29H27ClN4O/c1-17-10-18(2)24(12-20(17)14-35-26-9-8-21(30)11-19(26)3)27-23-7-5-4-6-22(23)25(13-31)28(34)29(27,15-32)16-33/h6,8-12,23,27H,4-5,7,14,34H2,1-3H3
InChIKey FCYUMVYYYLEQEL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14091
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/1010775; UBI_ID: UBI-014094
Temperature 308 °C