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3-(2-Bromo-5-hydroxy-4-methoxy-3-methyl-6-(phenylmethyl)phenylmethyl)-1-methyl-2,5-piperazinedione
SpectraBase Compound ID AxpbSPlubpE
InChI InChI=1S/C21H23BrN2O4/c1-12-18(22)14(10-16-21(27)24(2)11-17(25)23-16)15(19(26)20(12)28-3)9-13-7-5-4-6-8-13/h4-8,16,26H,9-11H2,1-3H3,(H,23,25)
InChIKey CKPWCCAKKXKQDT-UHFFFAOYSA-N
Mol Weight 447.33 g/mol
Molecular Formula C21H23BrN2O4
Exact Mass 446.08412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BQ7nweSAGh
Name 3-(2-Bromo-5-hydroxy-4-methoxy-3-methyl-6-(phenylmethyl)phenylmethyl)-1-methyl-2,5-piperazinedione
Alternate Name(s) 3-(2-benzyl-6-bromo-3-hydroxy-4-methoxy-5-methylbenzyl)-1-methyl-2,5-piperazinedione 3-[[2-bromo-5-hydroxy-4-methoxy-3-methyl-6-(phenylmethyl)phenyl]methyl]-1-methylpiperazine-2,5-dione 3-[(2-benzyl-6-bromo-3-hydroxy-4-methoxy-5-methylphenyl)methyl]-1-methylpiperazine-2,5-dione 3-[(2-benzyl-6-bromo-3-hydroxy-4-methoxy-5-methyl-phenyl)methyl]-1-methyl-piperazine-2,5-dione 3-[[2-bromanyl-4-methoxy-3-methyl-5-oxidanyl-6-(phenylmethyl)phenyl]methyl]-1-methyl-piperazine-2,5-dione
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Formula C21H23BrN2O4
InChI InChI=1S/C21H23BrN2O4/c1-12-18(22)14(10-16-21(27)24(2)11-17(25)23-16)15(19(26)20(12)28-3)9-13-7-5-4-6-8-13/h4-8,16,26H,9-11H2,1-3H3,(H,23,25)
InChIKey CKPWCCAKKXKQDT-UHFFFAOYSA-N
Molecular Weight 447.329 g/mol
SMILES N1C(CN(C(C1Cc1c(c(c(c(c1Cc1ccccc1)O)OC)C)Br)=O)C)=O
SPLASH splash10-014i-0049000000-d8a8af45e91b87ba0bb5
Source of Spectrum E2-48-1556-28
Wiley ID 1555412