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2,5-Cyclohexadien-1-one, 3-bromo-2-hydroxy-6-(methoxymethyl)-4,4-dimethyl-
SpectraBase Compound ID 4ko2QBsPGB5
InChI InChI=1S/C10H13BrO3/c1-10(2)4-6(5-14-3)7(12)8(13)9(10)11/h4,13H,5H2,1-3H3
InChIKey BBRUFTGEYSYXPO-UHFFFAOYSA-N
Mol Weight 261.11 g/mol
Molecular Formula C10H13BrO3
Exact Mass 260.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOrDB61Hqd0
Name 2,5-Cyclohexadien-1-one, 3-bromo-2-hydroxy-6-(methoxymethyl)-4,4-dimethyl-
Alternate Name(s) 3-Bromo-2-hydroxy-6-(methoxymethyl)-4,4-dimethyl-2,5-cyclohexadien-1-one 3-Bromo-2-hydroxy-6-methoxy-4,4-dimethyl-2,5-cyclohexadienone
CAS Registry Number 57825-76-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13BrO3
InChI InChI=1S/C10H13BrO3/c1-10(2)4-6(5-14-3)7(12)8(13)9(10)11/h4,13H,5H2,1-3H3
InChIKey BBRUFTGEYSYXPO-UHFFFAOYSA-N
Molecular Weight 261.115 g/mol
SMILES OC1=C(C(C)(C)C=C(C1=O)COC)Br
SPLASH splash10-00fv-6940000000-2f2e6f678707e7109b8f
Source of Spectrum AN-84-389-0
Wiley ID 1263152