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2-(4-tert-butyl-1-cyclohexenyl)-3-oxo-1H-indene-2-carboxylic acid methyl ester
SpectraBase Compound ID F2AzjqpjRfK
InChI InChI=1S/C21H26O3/c1-20(2,3)15-9-11-16(12-10-15)21(19(23)24-4)13-14-7-5-6-8-17(14)18(21)22/h5-8,11,15H,9-10,12-13H2,1-4H3
InChIKey CHQHPYFJNICAOB-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9q2CWoycQCN
Name 2-(4-tert-butyl-1-cyclohexenyl)-3-oxo-1H-indene-2-carboxylic acid methyl ester
Alternate Name(s) 2-(4-tert-butylcyclohexen-1-yl)-1-keto-indane-2-carboxylic acid methyl ester Methyl 2-(4-tert-butylcyclohexen-1-yl)-1-oxo-indane-2-carboxylate Methyl 2-(4-tert-butylcyclohexen-1-yl)-3-oxidanylidene-1H-indene-2-carboxylate Methyl 2-(4-tert-butylcyclohexen-1-yl)-3-oxo-1H-indene-2-carboxylate
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Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-20(2,3)15-9-11-16(12-10-15)21(19(23)24-4)13-14-7-5-6-8-17(14)18(21)22/h5-8,11,15H,9-10,12-13H2,1-4H3
InChIKey CHQHPYFJNICAOB-UHFFFAOYSA-N
Molecular Weight 326.436 g/mol
SMILES C1(C(c2ccccc2C1)=O)(C1=CCC(C(C)(C)C)CC1)C(=O)OC
SPLASH splash10-017i-1495000000-9d84680b749c4e37381c
Source of Spectrum J-62-2136-8
Wiley ID 1325119