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3-(3-bromophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitrophenyl]-4,5-dihydro-5-isoxazolecarboxamide
SpectraBase Compound ID 4ibBUB7jtM8
InChI InChI=1S/C22H16BrN3O6/c23-14-3-1-2-13(8-14)20-12-21(32-25-20)22(28)24-15-9-16(26(29)30)11-19(10-15)31-18-6-4-17(27)5-7-18/h1-11,21,27H,12H2,(H,24,28)
InChIKey AGHJUYOUESIPPO-UHFFFAOYSA-N
Mol Weight 498.29 g/mol
Molecular Formula C22H16BrN3O6
Exact Mass 497.022248 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I7Qp9LwVUex
Name 3-(3-bromophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitrophenyl]-4,5-dihydro-5-isoxazolecarboxamide
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/C22H16BrN3O6/c23-14-3-1-2-13(8-14)20-12-21(32-25-20)22(28)24-15-9-16(26(29)30)11-19(10-15)31-18-6-4-17(27)5-7-18/h1-11,21,27H,12H2,(H,24,28)
InChIKey AGHJUYOUESIPPO-UHFFFAOYSA-N
NMR Offset 17.9123
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33298
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: 1924801; SBI_ID: SBI-033302
Temperature 303 °C