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2-(2-bromo-5-hydroxy-4-methoxy-3-methyl-benzyl)-3,6-diketo-4-methyl-piperazine-1-carboxylic acid isopropyl ester
SpectraBase Compound ID 6IvDrxQRMaB
InChI InChI=1S/C18H23BrN2O6/c1-9(2)27-18(25)21-12(17(24)20(4)8-14(21)23)6-11-7-13(22)16(26-5)10(3)15(11)19/h7,9,12,22H,6,8H2,1-5H3
InChIKey IVUNZOPBVBTQRC-UHFFFAOYSA-N
Mol Weight 443.29 g/mol
Molecular Formula C18H23BrN2O6
Exact Mass 442.073949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qJQ7GfXTey
Name 2-(2-bromo-5-hydroxy-4-methoxy-3-methyl-benzyl)-3,6-diketo-4-methyl-piperazine-1-carboxylic acid isopropyl ester
Alternate Name(s) 2-[(2-bromo-5-hydroxy-4-methoxy-3-methylphenyl)methyl]-4-methyl-3,6-dioxo-1-piperazinecarboxylic acid propan-2-yl ester isopropyl 2-[(2-bromo-5-hydroxy-4-methoxy-3-methyl-phenyl)methyl]-4-methyl-3,6-dioxo-piperazine-1-carboxylate Propan-2-yl 2-[(2-bromanyl-4-methoxy-3-methyl-5-oxidanyl-phenyl)methyl]-4-methyl-3,6-bis(oxidanylidene)piperazine-1-carboxylate Propan-2-yl 2-[(2-bromo-5-hydroxy-4-methoxy-3-methylphenyl)methyl]-4-methyl-3,6-dioxopiperazine-1-carboxylate
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Formula C18H23BrN2O6
InChI InChI=1S/C18H23BrN2O6/c1-9(2)27-18(25)21-12(17(24)20(4)8-14(21)23)6-11-7-13(22)16(26-5)10(3)15(11)19/h7,9,12,22H,6,8H2,1-5H3
InChIKey IVUNZOPBVBTQRC-UHFFFAOYSA-N
Molecular Weight 443.294 g/mol
SMILES Oc1c(c(c(c(CC2C(N(CC(N2C(=O)OC(C)C)=O)C)=O)c1)Br)C)OC
SPLASH splash10-01t9-0095000000-ec4d0093d6c18fd38e84
Source of Spectrum E2-48-1556-6
Wiley ID 1555415