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1-Acetonyl-2-oxabicyclo[4.2.0]octane-8-carboxylic Acid
SpectraBase Compound ID I8F7HsDcHiu
InChI InChI=1S/C11H16O4/c1-7(12)6-11-8(3-2-4-15-11)5-9(11)10(13)14/h8-9H,2-6H2,1H3,(H,13,14)
InChIKey QLWWNDDOXHPNGJ-UHFFFAOYSA-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 HnyTnNfAA0f
Name 1-Acetonyl-2-oxabicyclo[4.2.0]octane-8-carboxylic Acid
Comments Less than 3 mono-isotopic peaks
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Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-7(12)6-11-8(3-2-4-15-11)5-9(11)10(13)14/h8-9H,2-6H2,1H3,(H,13,14)
InChIKey QLWWNDDOXHPNGJ-UHFFFAOYSA-N
Molecular Weight 212.245 g/mol
SMILES OC(C1C2(C(C1)CCCO2)CC(=O)C)=O
SPLASH splash10-0006-0900000000-4d006965e78547c8f718
Source of Spectrum Y-28-747-7
Synonyms 1-(2-oxopropyl)-2-oxabicyclo[4.2.0]octane-8-carboxylic acid
Wiley ID 1211245