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4,5-Diacetoxy-3,6-bis(bromomethyl)-1H-indenone
SpectraBase Compound ID 3lCkER1rgcE
InChI InChI=1S/C15H12Br2O5/c1-7(18)21-14-10(6-17)3-11-12(20)4-9(5-16)13(11)15(14)22-8(2)19/h3-4H,5-6H2,1-2H3
InChIKey MALCWZLPHZUNMI-UHFFFAOYSA-N
Mol Weight 432.06 g/mol
Molecular Formula C15H12Br2O5
Exact Mass 429.905149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0QxS4cmJlx
Name 4,5-Diacetoxy-3,6-bis(bromomethyl)-1H-indenone
Alternate Name(s) 4-(acetyloxy)-3,6-bis(bromomethyl)-1-oxo-1H-inden-5-yl acetate
CAS Registry Number 77028-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12Br2O5
InChI InChI=1S/C15H12Br2O5/c1-7(18)21-14-10(6-17)3-11-12(20)4-9(5-16)13(11)15(14)22-8(2)19/h3-4H,5-6H2,1-2H3
InChIKey MALCWZLPHZUNMI-UHFFFAOYSA-N
Molecular Weight 432.064 g/mol
SMILES c12c(C(=O)C=C2CBr)cc(c(c1OC(=O)C)OC(=O)C)CBr
SPLASH splash10-000t-5139000000-ae2645d935a8ea9ac3a7
Source of Spectrum J-46-2391-0
Wiley ID 1381339