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3-(2-Bromo-4,5-dihydroxy-3-methylphenylmethyl)-1-methyl-2,5-piperazinedione
SpectraBase Compound ID E0Dr26BgwWa
InChI InChI=1S/C13H15BrN2O4/c1-6-11(14)7(4-9(17)12(6)19)3-8-13(20)16(2)5-10(18)15-8/h4,8,17,19H,3,5H2,1-2H3,(H,15,18)
InChIKey WWCCFLOTMHJYKE-UHFFFAOYSA-N
Mol Weight 343.18 g/mol
Molecular Formula C13H15BrN2O4
Exact Mass 342.02152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xiL02MIfQ
Name 3-(2-Bromo-4,5-dihydroxy-3-methylphenylmethyl)-1-methyl-2,5-piperazinedione
Alternate Name(s) 3-(2-bromo-4,5-dihydroxy-3-methylbenzyl)-1-methyl-2,5-piperazinedione
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Formula C13H15BrN2O4
InChI InChI=1S/C13H15BrN2O4/c1-6-11(14)7(4-9(17)12(6)19)3-8-13(20)16(2)5-10(18)15-8/h4,8,17,19H,3,5H2,1-2H3,(H,15,18)
InChIKey WWCCFLOTMHJYKE-UHFFFAOYSA-N
Molecular Weight 343.177 g/mol
SMILES N1C(CN(C(C1Cc1c(c(c(c(c1)O)O)C)Br)=O)C)=O
SPLASH splash10-0400-0490000000-1c8f7c8ba391bc4f33f2
Source of Spectrum E2-48-1556-27
Wiley ID 1555413