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2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

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2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID Fchge9FMzK8
InChI InChI=1S/C29H31FN2O3/c1-15-17(3)25(18(4)16(2)22(15)14-34-20-9-7-19(30)8-10-20)26-21(13-31)28(32)35-24-12-29(5,6)11-23(33)27(24)26/h7-10,26H,11-12,14,32H2,1-6H3
InChIKey NIRVFHICRCVVHU-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C29H31FN2O3
Exact Mass 474.231871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HDnOnIzQBCb
Name 2-amino-4-{4-[(4-fluorophenoxy)methyl]-2,3,5,6-tetramethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-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/C29H31FN2O3/c1-15-17(3)25(18(4)16(2)22(15)14-34-20-9-7-19(30)8-10-20)26-21(13-31)28(32)35-24-12-29(5,6)11-23(33)27(24)26/h7-10,26H,11-12,14,32H2,1-6H3
InChIKey NIRVFHICRCVVHU-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11092
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: 1003459; UBI_ID: UBI-011095
Temperature 308 °C