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1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
SpectraBase Compound ID Rqn02W2ziA
InChI InChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h5-7H2,1-4H3
InChIKey NNSDFWCDDSJPFI-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6W4VhSNSMqe
Name Methyl 2,6,6-trimethylcyclohex-1-ene-1-carboxylate
Appearance Yellow liquid
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Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-8-6-5-7-11(2,3)9(8)10(12)13-4/h5-7H2,1-4H3
InChIKey NNSDFWCDDSJPFI-UHFFFAOYSA-N
Instrument Name Shimadzu GC/MS-QP2010S
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.687
Molecular Weight 182.263 g/mol
SMILES CC=1CCCC(C1C(=O)OC)(C)C
SPLASH splash10-059i-3900000000-38a2edd4dc86f921b565
Source of Spectrum ARK-2021-148-9
Thin-Layer Chromatography Rf = 0.74 (pentane/Et2O, 90:10)
Wiley ID 1873101