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4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, methyl ester
SpectraBase Compound ID 4UtAbHsnDyN
InChI InChI=1S/C11H16O4/c1-9(2)10(3)5-6-11(9,8(13)14-4)15-7(10)12/h5-6H2,1-4H3/t10-,11+/m1/s1
InChIKey JYUDOMSPXHSDIA-MNOVXSKESA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGJpZiAcI2g
Name 4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, methyl ester
Alternate Name(s) 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid methyl ester 2-keto-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxylic acid methyl ester Methyl 1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxylate Methyl 1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxylate Methyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CAS Registry Number 54200-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-9(2)10(3)5-6-11(9,8(13)14-4)15-7(10)12/h5-6H2,1-4H3/t10-,11+/m1/s1
InChIKey JYUDOMSPXHSDIA-MNOVXSKESA-N
Molecular Weight 212.245 g/mol
SMILES C[C@]12C([C@@](CC2)(OC1=O)C(=O)OC)(C)C
SPLASH splash10-0a5c-9500000000-cbb33c615f1f48487877
Wiley ID 1474812