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pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-4-(3-bromo-4-methoxyphenyl)-4,8-dihydro-6-(hydroxymethyl)-8-oxo-
SpectraBase Compound ID CcEPxx70TxE
InChI InChI=1S/C17H13BrN2O5/c1-23-13-3-2-8(4-11(13)18)14-10(6-19)17(20)25-15-12(22)5-9(7-21)24-16(14)15/h2-5,14,21H,7,20H2,1H3
InChIKey QTXQTWNYQYNRLS-UHFFFAOYSA-N
Mol Weight 405.2 g/mol
Molecular Formula C17H13BrN2O5
Exact Mass 404.000785 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DG2yjKM0Eds
Name pyrano[3,2-b]pyran-3-carbonitrile, 2-amino-4-(3-bromo-4-methoxyphenyl)-4,8-dihydro-6-(hydroxymethyl)-8-oxo-
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/C17H13BrN2O5/c1-23-13-3-2-8(4-11(13)18)14-10(6-19)17(20)25-15-12(22)5-9(7-21)24-16(14)15/h2-5,14,21H,7,20H2,1H3
InChIKey QTXQTWNYQYNRLS-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5884
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: NMR/18211523; Labnumber: TSH-804/101