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[5-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenoxy]acetonitrile
SpectraBase Compound ID DBXaIYZskvg
InChI InChI=1S/C23H22BrNO5/c1-2-28-19-11-13(14(24)12-20(19)29-10-9-25)21-22-15(26)5-3-7-17(22)30-18-8-4-6-16(27)23(18)21/h11-12,21H,2-8,10H2,1H3
InChIKey ISYDIARNXJFZED-UHFFFAOYSA-N
Mol Weight 472.34 g/mol
Molecular Formula C23H22BrNO5
Exact Mass 471.068136 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Q1vIQXpSDH
Name [5-bromo-4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenoxy]acetonitrile
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/C23H22BrNO5/c1-2-28-19-11-13(14(24)12-20(19)29-10-9-25)21-22-15(26)5-3-7-17(22)30-18-8-4-6-16(27)23(18)21/h11-12,21H,2-8,10H2,1H3
InChIKey ISYDIARNXJFZED-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4879
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: UZI/9341094; Labnumber: BMA-04\029704; UZI_ID: UZI-004881
Temperature 318 °C