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

View entire compound with spectra: 2 NMR

2-amino-4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID GKqnhNQ4drH
InChI InChI=1S/C26H24ClFN2O4/c1-26(2)10-19(31)24-22(11-26)34-25(30)17(12-29)23(24)14-4-6-20(32-3)15(8-14)13-33-21-7-5-16(28)9-18(21)27/h4-9,23H,10-11,13,30H2,1-3H3
InChIKey BGNWNZMPKDFBAU-UHFFFAOYSA-N
Mol Weight 482.94 g/mol
Molecular Formula C26H24ClFN2O4
Exact Mass 482.140863 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BugzxgIXMtv
Name 2-amino-4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-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/C26H24ClFN2O4/c1-26(2)10-19(31)24-22(11-26)34-25(30)17(12-29)23(24)14-4-6-20(32-3)15(8-14)13-33-21-7-5-16(28)9-18(21)27/h4-9,23H,10-11,13,30H2,1-3H3
InChIKey BGNWNZMPKDFBAU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4614
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: 9676617; UBI_ID: UBI-004615
Temperature 308 °C