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1-m-nitro-benzyl-2-m-nitro-benzylthio-6-methyluracil
SpectraBase Compound ID FPwkBcEn2ua
InChI InChI=1S/C19H16N4O5S/c1-13-8-18(24)20-19(29-12-15-5-3-7-17(10-15)23(27)28)21(13)11-14-4-2-6-16(9-14)22(25)26/h2-10H,11-12H2,1H3
InChIKey UGOHZJPNLYIAOQ-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 ChR2wN0Lq7M
Name 1-m-nitro-benzyl-2-m-nitro-benzylthio-6-methyluracil
Alternate Name(s) 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 C19H16N4O5S
InChI InChI=1S/C19H16N4O5S/c1-13-8-18(24)20-19(29-12-15-5-3-7-17(10-15)23(27)28)21(13)11-14-4-2-6-16(9-14)22(25)26/h2-10H,11-12H2,1H3
InChIKey UGOHZJPNLYIAOQ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.1801
Molecular Weight 412.420 g/mol
SMILES C1(N=C(N(C(=C1)C)Cc1cccc(c1)[N+](=O)[O-])SCc1cccc(c1)[N+]([O-])=O)=O
SPLASH splash10-004u-5591200000-75133e14896e34b5bf73
Source of Spectrum RCM-19-581-3
Wiley ID 1820205