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ethyl [4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-bromo-6-methoxyphenoxy]acetate
SpectraBase Compound ID GQHt2SsajqD
InChI InChI=1S/C21H21BrN2O6/c1-3-28-17(26)10-29-20-13(22)7-11(8-16(20)27-2)18-12(9-23)21(24)30-15-6-4-5-14(25)19(15)18/h7-8,18H,3-6,10,24H2,1-2H3
InChIKey INTRKLRPGOYVIN-UHFFFAOYSA-N
Mol Weight 477.31 g/mol
Molecular Formula C21H21BrN2O6
Exact Mass 476.058299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8YpVXijTqsd
Name ethyl [4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-bromo-6-methoxyphenoxy]acetate
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/C21H21BrN2O6/c1-3-28-17(26)10-29-20-13(22)7-11(8-16(20)27-2)18-12(9-23)21(24)30-15-6-4-5-14(25)19(15)18/h7-8,18H,3-6,10,24H2,1-2H3
InChIKey INTRKLRPGOYVIN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31719
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: 1843260; SBI_ID: SBI-031723
Temperature 308 °C