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2-Oxabicyclo[2.2.2]octane-3-carboxylic acid, 1,3-dimethyl-, methyl ester
SpectraBase Compound ID APiL37C1TWt
InChI InChI=1S/C11H18O3/c1-10-6-4-8(5-7-10)11(2,14-10)9(12)13-3/h8H,4-7H2,1-3H3
InChIKey BRIWRDMFDSFREJ-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TqhO53nPs
Name 2-Oxabicyclo[2.2.2]octane-3-carboxylic acid, 1,3-dimethyl-, methyl ester
CAS Registry Number 72447-54-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-10-6-4-8(5-7-10)11(2,14-10)9(12)13-3/h8H,4-7H2,1-3H3
InChIKey BRIWRDMFDSFREJ-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C1(OC2(C)CCC1CC2)(C(=O)OC)C
SPLASH splash10-000f-9500000000-7e9721593234210454d8
Source of Spectrum B-32-2095-0
Synonyms Methyl 1,3-dimethyl-2-oxabicyclo(2,2,2)octane-3-carboxylate Methyl 1,3-dimethyl-2-oxabicyclo[2.2.2]octane-3-carboxylate
Wiley ID 1195502