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1-Cyclohexene-1-carboxylic acid, 4-bromo-2,6,6-trimethyl-3-oxo-, ethyl ester

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1-Cyclohexene-1-carboxylic acid, 4-bromo-2,6,6-trimethyl-3-oxo-, ethyl ester
SpectraBase Compound ID 7verARiyj1f
InChI InChI=1S/C12H17BrO3/c1-5-16-11(15)9-7(2)10(14)8(13)6-12(9,3)4/h8H,5-6H2,1-4H3
InChIKey HTSBRJWLMXZBAD-UHFFFAOYSA-N
Mol Weight 289.17 g/mol
Molecular Formula C12H17BrO3
Exact Mass 288.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JS1LestKbhx
Name 1-Cyclohexene-1-carboxylic acid, 4-bromo-2,6,6-trimethyl-3-oxo-, ethyl ester
CAS Registry Number 96850-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17BrO3
InChI InChI=1S/C12H17BrO3/c1-5-16-11(15)9-7(2)10(14)8(13)6-12(9,3)4/h8H,5-6H2,1-4H3
InChIKey HTSBRJWLMXZBAD-UHFFFAOYSA-N
Molecular Weight 289.169 g/mol
SMILES C1(=C(C(C)(C)CC(C1=O)Br)C(=O)OCC)C
SPLASH splash10-052u-9770000000-7f9ef8733715c9c74c72
Source of Spectrum J-52-1988-15
Synonyms Ethyl 4-bromo-2,6,6-trimethyl-3-oxo-1-cyclohexene-1-carboxylate Ethyl 4-bromo-3-oxo-2,6,6-trimethylcyclohex-1-ene-1-carboxylate
Wiley ID 1291315