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2-Bromo-4,5-diacetoxy-3,7-dimethyl-1H-indenone
SpectraBase Compound ID F6OO6GkXMeb
InChI InChI=1S/C15H13BrO5/c1-6-5-10(20-8(3)17)15(21-9(4)18)12-7(2)13(16)14(19)11(6)12/h5H,1-4H3
InChIKey IOUYJTRMCONASS-UHFFFAOYSA-N
Mol Weight 353.17 g/mol
Molecular Formula C15H13BrO5
Exact Mass 351.994637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DY39GZPsWgi
Name 2-Bromo-4,5-diacetoxy-3,7-dimethyl-1H-indenone
Alternate Name(s) 4-(acetyloxy)-2-bromo-3,7-dimethyl-1-oxo-1H-inden-5-yl acetate
CAS Registry Number 77028-57-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13BrO5
InChI InChI=1S/C15H13BrO5/c1-6-5-10(20-8(3)17)15(21-9(4)18)12-7(2)13(16)14(19)11(6)12/h5H,1-4H3
InChIKey IOUYJTRMCONASS-UHFFFAOYSA-N
Molecular Weight 353.168 g/mol
SMILES c12C(=C(Br)C(c2c(C)cc(c1OC(=O)C)OC(=O)C)=O)C
SPLASH splash10-00r6-6293000000-0cb286c0fc228a6d5eb3
Source of Spectrum J-46-2392-0
Wiley ID 1342959