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7-Bromo-4,5-diacetoxy-3,6-dimethyl-1H-indenone

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

7-Bromo-4,5-diacetoxy-3,6-dimethyl-1H-indenone
SpectraBase Compound ID IbwSVTjpN02
InChI InChI=1S/C15H13BrO5/c1-6-5-10(19)12-11(6)15(21-9(4)18)14(20-8(3)17)7(2)13(12)16/h5H,1-4H3
InChIKey VPDWEGDERSJXPQ-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 Hi3KdUlmf2d
Name 7-Bromo-4,5-diacetoxy-3,6-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(19)12-11(6)15(21-9(4)18)14(20-8(3)17)7(2)13(12)16/h5H,1-4H3
InChIKey VPDWEGDERSJXPQ-UHFFFAOYSA-N
Molecular Weight 353.168 g/mol
SMILES C12=C(C(OC(=O)C)=C(C(=C2Br)C)OC(=O)C)C(C)=CC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9447