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1-m-nitro-benzyl-2-m-nitro-benzylthio-5-bromo-6-methyluracil
SpectraBase Compound ID 1co1lb1Gp9q
InChI InChI=1S/C19H15BrN4O5S/c1-12-17(20)18(25)21-19(30-11-14-5-3-7-16(9-14)24(28)29)22(12)10-13-4-2-6-15(8-13)23(26)27/h2-9H,10-11H2,1H3
InChIKey UMXJLFJHWCNZHZ-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 FkuEolMIj7P
Name 1-m-nitro-benzyl-2-m-nitro-benzylthio-5-bromo-6-methyluracil
Alternate Name(s) 5-Bromo-6-methyl-1-(3-nitrobenzyl)-2-((3-nitrobenzyl)thio)pyrimidin-4(1H)-one
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(30-11-14-5-3-7-16(9-14)24(28)29)22(12)10-13-4-2-6-15(8-13)23(26)27/h2-9H,10-11H2,1H3
InChIKey UMXJLFJHWCNZHZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1801
Molecular Weight 491.316 g/mol
SMILES C1(N=C(N(C(=C1Br)C)Cc1cccc(c1)[N+](=O)[O-])SCc1cccc(c1)[N+]([O-])=O)=O
SPLASH splash10-0006-6415900000-745017c65f0d5a95eb9a
Source of Spectrum RCM-19-581-9
Wiley ID 1820211