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1-o-nitro-benzyl-2-o-nitro-benzylthio-6-methyluracil
SpectraBase Compound ID Bg2tQFwfUyr
InChI InChI=1S/C19H16N4O5S/c1-13-10-18(24)20-19(29-12-15-7-3-5-9-17(15)23(27)28)21(13)11-14-6-2-4-8-16(14)22(25)26/h2-10H,11-12H2,1H3
InChIKey HMCXBVVOQZVDSC-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 1WYtkpW7Yp3
Name 1-o-nitro-benzyl-2-o-nitro-benzylthio-6-methyluracil
Alternate Name(s) 6-Methyl-1-(2-nitrobenzyl)-2-((2-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(29-12-15-7-3-5-9-17(15)23(27)28)21(13)11-14-6-2-4-8-16(14)22(25)26/h2-10H,11-12H2,1H3
InChIKey HMCXBVVOQZVDSC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1801
Molecular Weight 412.420 g/mol
SMILES C1(N=C(N(C(=C1)C)Cc1ccccc1[N+]([O-])=O)SCc1ccccc1[N+](=O)[O-])=O
SPLASH splash10-000i-1910000000-9bd56a5d9aafea90423b
Source of Spectrum RCM-19-581-1
Wiley ID 1820203