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ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

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ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
SpectraBase Compound ID EsyEMw6MDcG
InChI InChI=1S/C29H30F3NO6/c1-5-37-27(35)25-23(24-20(34)13-28(2,3)14-22(24)39-26(25)33)16-9-10-21(36-4)17(11-16)15-38-19-8-6-7-18(12-19)29(30,31)32/h6-12,23H,5,13-15,33H2,1-4H3
InChIKey KLCSSTSCRBIOQM-UHFFFAOYSA-N
Mol Weight 545.56 g/mol
Molecular Formula C29H30F3NO6
Exact Mass 545.202522 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JZVTwsTMcfU
Name ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
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/C29H30F3NO6/c1-5-37-27(35)25-23(24-20(34)13-28(2,3)14-22(24)39-26(25)33)16-9-10-21(36-4)17(11-16)15-38-19-8-6-7-18(12-19)29(30,31)32/h6-12,23H,5,13-15,33H2,1-4H3
InChIKey KLCSSTSCRBIOQM-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8706
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: 1001543; UBI_ID: UBI-008709
Temperature 313 °C