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2-(bromomethyl)-3-keto-6,6-dimethyl-cyclohexene-1-carboxylic acid ethyl ester
SpectraBase Compound ID LoreyQTMyHQ
InChI InChI=1S/C12H17BrO3/c1-4-16-11(15)10-8(7-13)9(14)5-6-12(10,2)3/h4-7H2,1-3H3
InChIKey AXDFTIUDSBPQQO-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 5mZePRGvf3U
Name 2-(bromomethyl)-3-keto-6,6-dimethyl-cyclohexene-1-carboxylic acid ethyl ester
Alternate Name(s) 2-(bromomethyl)-6,6-dimethyl-3-oxo-1-cyclohexenecarboxylic acid ethyl ester Ethyl 2-(bromomethyl)-6,6-dimethyl-3-oxidanylidene-cyclohexene-1-carboxylate Ethyl 2-(bromomethyl)-6,6-dimethyl-3-oxo-cyclohexene-1-carboxylate
CAS Registry Number 96850-03-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17BrO3
InChI InChI=1S/C12H17BrO3/c1-4-16-11(15)10-8(7-13)9(14)5-6-12(10,2)3/h4-7H2,1-3H3
InChIKey AXDFTIUDSBPQQO-UHFFFAOYSA-N
Molecular Weight 289.169 g/mol
SMILES C1(=C(C(=O)CCC1(C)C)CBr)C(=O)OCC
SPLASH splash10-052u-9640000000-5546532c77eb53cd52b3
Source of Spectrum J-52-1988-10
Wiley ID 1291314