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2-(2-Carboxyethyl)-6,6-dimethyl-3-oxo-1-cyclohexene-1-carboxylic acid

View entire compound with spectra: 3 MS (GC)

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 JwNhxGYuncD
Name 2-(2-CARBOXYETHYL)-6,6-DIMETHYL-3-OXO-CYCLOHEX-1-ENECARBOXYLIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 240.0993
SMILES OC(C=1C(CCC(C1CCC(O)=O)=O)(C)C)=O
SPLASH splash10-002f-9710000000-442ca6281c551bfe4cbc
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany