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2-bromo-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-one
SpectraBase Compound ID LsrSPTLhBRi
InChI InChI=1S/C12H13BrO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5H,6-7H2,1-2H3
InChIKey SJYXUPGLQCUYJS-UHFFFAOYSA-N
Mol Weight 285.14 g/mol
Molecular Formula C12H13BrO3
Exact Mass 284.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7YlvybJaZv
Name 2-bromo-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.004807276 u
Formula C12H13BrO3
InChI InChI=1S/C12H13BrO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5H,6-7H2,1-2H3
InChIKey SJYXUPGLQCUYJS-UHFFFAOYSA-N
Instrument Name Finnigan MAT95Q or Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202203807
Quality 129
Reported Formula C12H13BrO3
SMILES C(Br)C(=O)C1=CC2=C(OC(OC2)(C)C)C=C1
SPLASH splash10-003r-0930000000-16b7997e6b5a6b8b9bed
Source of Spectrum ACI-61-SM122-122-1 (DOI: 10.1002/anie.202203807)
Wiley ID 1897815