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Methyl 4,6,6-trimethyl-bicyclo[2.2.2]oct-7-en-2,5-dione-7-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 4,6,6-trimethyl-bicyclo[2.2.2]oct-7-en-2,5-dione-7-carboxylate
SpectraBase Compound ID EZ9tcdjDlik
InChI InChI=1S/C13H16O4/c1-12(2)9-7(10(15)17-4)5-13(3,11(12)16)6-8(9)14/h5,9H,6H2,1-4H3/t9-,13+/m1/s1
InChIKey UNZNYERGCINECN-RNCFNFMXSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IReb434jnY5
Name Methyl 4,6,6-trimethyl-bicyclo[2.2.2]oct-7-en-2,5-dione-7-carboxylate
Alternate Name(s) Methyl 4,6,6-trimethyl-5,7-dioxobicyclo[2.2.2]oct-2-ene-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-12(2)9-7(10(15)17-4)5-13(3,11(12)16)6-8(9)14/h5,9H,6H2,1-4H3/t9-,13+/m1/s1
InChIKey UNZNYERGCINECN-RNCFNFMXSA-N
Molecular Weight 236.267 g/mol
SMILES C=1([C@]2(C(C)(C)C([C@@](C1)(CC2=O)C)=O)[H])C(=O)OC
SPLASH splash10-05fr-9540000000-411093e3a054be54c715
Source of Spectrum HE-1999-227-1
Wiley ID 1613423