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3,5-pyridinedicarbonitrile, 2-amino-4-(4-bromophenyl)-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-
SpectraBase Compound ID AEXBpcu2Nip
InChI InChI=1S/C21H13BrN4O3S/c22-13-4-1-11(2-5-13)19-14(8-23)20(25)26-21(15(19)9-24)30-10-18(29)12-3-6-16(27)17(28)7-12/h1-7,27-28H,10H2,(H2,25,26)
InChIKey YTUFUAKILNZAMY-UHFFFAOYSA-N
Mol Weight 481.32 g/mol
Molecular Formula C21H13BrN4O3S
Exact Mass 479.989174 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2SKeTQnawWN
Name 3,5-pyridinedicarbonitrile, 2-amino-4-(4-bromophenyl)-6-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.989174466 u
Formula C21H13BrN4O3S
InChI InChI=1S/C21H13BrN4O3S/c22-13-4-1-11(2-5-13)19-14(8-23)20(25)26-21(15(19)9-24)30-10-18(29)12-3-6-16(27)17(28)7-12/h1-7,27-28H,10H2,(H2,25,26)
InChIKey YTUFUAKILNZAMY-UHFFFAOYSA-N
Molecular Weight 481.324 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9212
Solvent DMSO-d6
Source Vendor ID: NMR/9253047; Lab Info: DVD; Lab Number: DVD-0000026