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1-o-nitro-benzyl-2-o-nitro-benzylthio-5-bromo-6-methyluracil
SpectraBase Compound ID 6H51VQVhPxY
InChI InChI=1S/C19H15BrN4O5S/c1-12-17(20)18(25)21-19(30-11-14-7-3-5-9-16(14)24(28)29)22(12)10-13-6-2-4-8-15(13)23(26)27/h2-9H,10-11H2,1H3
InChIKey QDOQPQVHAODPDC-UHFFFAOYSA-N
Mol Weight 491.32 g/mol
Molecular Formula C19H15BrN4O5S
Exact Mass 489.994654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuIYuIxrjQF
Name 1-o-nitro-benzyl-2-o-nitro-benzylthio-5-bromo-6-methyluracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15BrN4O5S
InChI InChI=1S/C19H15BrN4O5S/c1-12-17(20)18(25)21-19(30-11-14-7-3-5-9-16(14)24(28)29)22(12)10-13-6-2-4-8-15(13)23(26)27/h2-9H,10-11H2,1H3
InChIKey QDOQPQVHAODPDC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1801
Molecular Weight 491.316 g/mol
SMILES C1(N=C(N(C(=C1Br)C)Cc1ccccc1[N+]([O-])=O)SCc1ccccc1[N+](=O)[O-])=O
SPLASH splash10-000i-2921100000-aebe75c86c4ab7d0db30
Source of Spectrum RCM-19-581-7
Synonyms 5-Bromo-6-methyl-1-(2-nitrobenzyl)-2-((2-nitrobenzyl)thio)pyrimidin-4(1H)-one
Wiley ID 1820209