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Bicyclo[6.2.2]dodeca-8,10,11-triene-9-carboxylic acid, (.+-.)-
SpectraBase Compound ID FWuGV4k6Q0q
InChI InChI=1S/C13H16O2/c14-13(15)12-9-10-5-3-1-2-4-6-11(12)8-7-10/h7-9H,1-6H2,(H,14,15)
InChIKey ZJXZSGMYRZWOGO-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kZQvJkPtm5
Name Bicyclo[6.2.2]dodeca-8,10,11-triene-9-carboxylic acid, (.+-.)-
Alternate Name(s) (+-)-[6]Paracyclophane-8-carboxylic acid (+-)bicyclo[6.2.2]dodeca-1(10)8,11-triene-9-carboxylate bicyclo[6.2.2]dodeca-1(10),8,11-triene-9-carboxylic acid
CAS Registry Number 97672-84-9
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O2
InChI InChI=1S/C13H16O2/c14-13(15)12-9-10-5-3-1-2-4-6-11(12)8-7-10/h7-9H,1-6H2,(H,14,15)
InChIKey ZJXZSGMYRZWOGO-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES OC(c1c2ccc(c1)CCCCCC2)=O
SPLASH splash10-0002-0920000000-92d2f099a70269d4c9fa
Source of Spectrum K-118-2008-4
Wiley ID 1202096