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2-Bromo-4,5-diacetoxy-3,7-dimethyl-1H-indenone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fdfdp93d9ke
Name 2-Bromo-4,5-diacetoxy-3,7-dimethyl-1H-indenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.994636514 u
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 C1=2C(=C(Br)C(C2C(C)=CC(=C1OC(=O)C)OC(=O)C)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931801