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

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ethyl 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
SpectraBase Compound ID 2oQNAKZViN5
InChI InChI=1S/C28H29ClFNO6/c1-5-35-27(33)25-23(24-20(32)12-28(2,3)13-22(24)37-26(25)31)15-6-9-21(34-4)16(10-15)14-36-17-7-8-19(30)18(29)11-17/h6-11,23H,5,12-14,31H2,1-4H3
InChIKey YXQIRMHCTPBNCS-UHFFFAOYSA-N
Mol Weight 529.99 g/mol
Molecular Formula C28H29ClFNO6
Exact Mass 529.166744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JhE8n1w3YxN
Name ethyl 2-amino-4-{3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-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/C28H29ClFNO6/c1-5-35-27(33)25-23(24-20(32)12-28(2,3)13-22(24)37-26(25)31)15-6-9-21(34-4)16(10-15)14-36-17-7-8-19(30)18(29)11-17/h6-11,23H,5,12-14,31H2,1-4H3
InChIKey YXQIRMHCTPBNCS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4101
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: 9318205; UBI_ID: UBI-004102
Temperature 318 °C