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2,5-Cyclohexadien-1-one, 3-bromo-2-methoxy-6-(methoxymethyl)-4,4-dimethyl-

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

2,5-Cyclohexadien-1-one, 3-bromo-2-methoxy-6-(methoxymethyl)-4,4-dimethyl-
SpectraBase Compound ID 3GMdlmKdqoz
InChI InChI=1S/C11H15BrO3/c1-11(2)5-7(6-14-3)8(13)9(15-4)10(11)12/h5H,6H2,1-4H3
InChIKey DEKUXEKVRPADIJ-UHFFFAOYSA-N
Mol Weight 275.14 g/mol
Molecular Formula C11H15BrO3
Exact Mass 274.020457 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9lw802SwtBy
Name 2,5-Cyclohexadien-1-one, 3-bromo-2-methoxy-6-(methoxymethyl)-4,4-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.020457340 u
Formula C11H15BrO3
InChI InChI=1S/C11H15BrO3/c1-11(2)5-7(6-14-3)8(13)9(15-4)10(11)12/h5H,6H2,1-4H3
InChIKey DEKUXEKVRPADIJ-UHFFFAOYSA-N
SMILES C1(=C(C(C)(C)C=C(C1=O)COC)Br)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966675