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

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2-amino-4-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
SpectraBase Compound ID Dm28zqhiZ1x
InChI InChI=1S/C26H24FN3O6/c1-26(2)10-19(31)24-22(11-26)36-25(29)17(12-28)23(24)14-4-7-20(34-3)15(8-14)13-35-21-9-16(27)5-6-18(21)30(32)33/h4-9,23H,10-11,13,29H2,1-3H3
InChIKey MVSGRIMSQGEUDQ-UHFFFAOYSA-N
Mol Weight 493.49 g/mol
Molecular Formula C26H24FN3O6
Exact Mass 493.164914 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IRB2onP9nGL
Name 2-amino-4-{3-[(5-fluoro-2-nitrophenoxy)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/C26H24FN3O6/c1-26(2)10-19(31)24-22(11-26)36-25(29)17(12-28)23(24)14-4-7-20(34-3)15(8-14)13-35-21-9-16(27)5-6-18(21)30(32)33/h4-9,23H,10-11,13,29H2,1-3H3
InChIKey MVSGRIMSQGEUDQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20858
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/9315435; UBI_ID: UBI-020862
Temperature 308 °C