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

View entire compound with spectra: 1 NMR

2-amino-4-{5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID G61EwZ9mPV8
InChI InChI=1S/C27H27ClN2O3/c1-15-9-16(2)20(10-17(15)14-32-19-7-5-18(28)6-8-19)24-21(13-29)26(30)33-23-12-27(3,4)11-22(31)25(23)24/h5-10,24H,11-12,14,30H2,1-4H3
InChIKey XSCUTEYQQOSMGU-UHFFFAOYSA-N
Mol Weight 462.98 g/mol
Molecular Formula C27H27ClN2O3
Exact Mass 462.17102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 60XBQLW9rdA
Name 2-amino-4-{5-[(4-chlorophenoxy)methyl]-2,4-dimethylphenyl}-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/C27H27ClN2O3/c1-15-9-16(2)20(10-17(15)14-32-19-7-5-18(28)6-8-19)24-21(13-29)26(30)33-23-12-27(3,4)11-22(31)25(23)24/h5-10,24H,11-12,14,30H2,1-4H3
InChIKey XSCUTEYQQOSMGU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8955
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: 1002431; UBI_ID: UBI-008958
Temperature 313 °C