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1,3-Dimethyl-5-p-nitrobenzylthiomethyluracil
SpectraBase Compound ID BbzXIeYYi3u
InChI InChI=1S/C14H15N3O4S/c1-15-7-11(13(18)16(2)14(15)19)9-22-8-10-3-5-12(6-4-10)17(20)21/h3-7H,8-9H2,1-2H3
InChIKey YTJOTCCILDODKY-UHFFFAOYSA-N
Mol Weight 321.35 g/mol
Molecular Formula C14H15N3O4S
Exact Mass 321.078327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RWsq9aSq1I
Name 1,3-Dimethyl-5-p-nitrobenzylthiomethyluracil
Alternate Name(s) 1,3-Dimethyl-5-{[(4-nitrobenzyl)sulfanyl]methyl}-2,4(1H,3H)-pyrimidinedione
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Formula C14H15N3O4S
InChI InChI=1S/C14H15N3O4S/c1-15-7-11(13(18)16(2)14(15)19)9-22-8-10-3-5-12(6-4-10)17(20)21/h3-7H,8-9H2,1-2H3
InChIKey YTJOTCCILDODKY-UHFFFAOYSA-N
Molecular Weight 321.351 g/mol
SMILES C1(N(C(C(=CN1C)CSCc1ccc(N(=O)=O)cc1)=O)C)=O
SPLASH splash10-0uds-6900000000-5b92f75d9bba8881fb6c
Source of Spectrum F-47-4366-3
Wiley ID 1320784