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1-p-nitro-benzyl-2-p-nitro-benzylthio-6-methyluracil
SpectraBase Compound ID 6VEdMxG4msZ
InChI InChI=1S/C19H16N4O5S/c1-13-10-18(24)20-19(29-12-15-4-8-17(9-5-15)23(27)28)21(13)11-14-2-6-16(7-3-14)22(25)26/h2-10H,11-12H2,1H3
InChIKey LYVLCEVRTVYQTJ-UHFFFAOYSA-N
Mol Weight 412.42 g/mol
Molecular Formula C19H16N4O5S
Exact Mass 412.084141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxwylnKMTKo
Name 1-p-nitro-benzyl-2-p-nitro-benzylthio-6-methyluracil
Alternate Name(s) 6-Methyl-1-(4-nitrobenzyl)-2-((4-nitrobenzyl)thio)pyrimidin-4(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4O5S
InChI InChI=1S/C19H16N4O5S/c1-13-10-18(24)20-19(29-12-15-4-8-17(9-5-15)23(27)28)21(13)11-14-2-6-16(7-3-14)22(25)26/h2-10H,11-12H2,1H3
InChIKey LYVLCEVRTVYQTJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1801
Molecular Weight 412.420 g/mol
SMILES C1(N=C(N(C(=C1)C)Cc1ccc(cc1)[N+](=O)[O-])SCc1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-004l-3490300000-87b800dbb8db15bf8111
Source of Spectrum RCM-19-581-5
Wiley ID 1820207