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ethyl 2-amino-4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
SpectraBase Compound ID FZ2uFPBk2fg
InChI InChI=1S/C26H25ClFNO6/c1-3-33-26(31)24-22(23-18(30)5-4-6-21(23)35-25(24)29)14-7-9-19(32-2)15(11-14)13-34-20-10-8-16(28)12-17(20)27/h7-12,22H,3-6,13,29H2,1-2H3
InChIKey LMQRELYISKNGRI-UHFFFAOYSA-N
Mol Weight 501.94 g/mol
Molecular Formula C26H25ClFNO6
Exact Mass 501.135443 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 75YfFAjLlXF
Name ethyl 2-amino-4-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-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/C26H25ClFNO6/c1-3-33-26(31)24-22(23-18(30)5-4-6-21(23)35-25(24)29)14-7-9-19(32-2)15(11-14)13-34-20-10-8-16(28)12-17(20)27/h7-12,22H,3-6,13,29H2,1-2H3
InChIKey LMQRELYISKNGRI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7294
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: 9686588; UBI_ID: UBI-007297
Temperature 318 °C