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2-(2-Carboxyethyl)-6,6-dimethyl-3-oxo-1-cyclohexene-1-carboxylic acid
SpectraBase Compound ID DrsLz3zKILQ
InChI InChI=1S/C12H16O5/c1-12(2)6-5-8(13)7(3-4-9(14)15)10(12)11(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKey ADOATYFCQOECBF-UHFFFAOYSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MFOlP9JaA8
Name 2-(2-Carboxyethyl)-6,6-dimethyl-3-oxo-1-cyclohexene-1-carboxylic acid
Alternate Name(s) 2-(2-carboxyethyl)-3-keto-6,6-dimethyl-cyclohexene-1-carboxylic acid 2-(2-carboxyethyl)-6,6-dimethyl-3-oxo-1-cyclohexenecarboxylic acid 2-(2-carboxyethyl)-6,6-dimethyl-3-oxo-cyclohexene-1-carboxylic acid 2-(2-carboxyethyl)-6,6-dimethyl-3-oxocyclohexene-1-carboxylic acid
CAS Registry Number 57304-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-12(2)6-5-8(13)7(3-4-9(14)15)10(12)11(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKey ADOATYFCQOECBF-UHFFFAOYSA-N
Molecular Weight 240.255 g/mol
SMILES OC(CCC1=C(C(=O)O)C(CCC1=O)(C)C)=O
SPLASH splash10-002f-9510000000-77315a931b3a22cc9a7d
Source of Spectrum F-47-1413-4
Wiley ID 1242663