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1-Acetyl-3-(2-bromo-5-isopropoxy-4-methoxy-3-methyl-benzyl)piperazine-2,5-quinone
SpectraBase Compound ID 8nqtukUx8vA
InChI InChI=1S/C18H23BrN2O5/c1-9(2)26-14-7-12(16(19)10(3)17(14)25-5)6-13-18(24)21(11(4)22)8-15(23)20-13/h7,9,13H,6,8H2,1-5H3,(H,20,23)
InChIKey HXYNEQVESNVSPK-UHFFFAOYSA-N
Mol Weight 427.3 g/mol
Molecular Formula C18H23BrN2O5
Exact Mass 426.079035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9e7qVunchOd
Name 1-Acetyl-3-(2-bromo-5-isopropoxy-4-methoxy-3-methyl-benzyl)piperazine-2,5-quinone
Alternate Name(s) 1-Acetyl-3-[(2-bromo-4-methoxy-3-methyl-5-propan-2-yloxyphenyl)methyl]piperazine-2,5-dione 1-Acetyl-3-[(2-bromo-5-isopropoxy-4-methoxy-3-methyl-phenyl)methyl]piperazine-2,5-dione 3-[(2-bromanyl-4-methoxy-3-methyl-5-propan-2-yloxy-phenyl)methyl]-1-ethanoyl-piperazine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23BrN2O5
InChI InChI=1S/C18H23BrN2O5/c1-9(2)26-14-7-12(16(19)10(3)17(14)25-5)6-13-18(24)21(11(4)22)8-15(23)20-13/h7,9,13H,6,8H2,1-5H3,(H,20,23)
InChIKey HXYNEQVESNVSPK-UHFFFAOYSA-N
Molecular Weight 427.295 g/mol
SMILES N1C(CN(C(C1Cc1c(c(c(c(c1)OC(C)C)OC)C)Br)=O)C(=O)C)=O
SPLASH splash10-00gi-0090000000-49077f04cd3452c74600
Source of Spectrum E2-51-825-5
Wiley ID 1556208