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7-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxylic acid
SpectraBase Compound ID 3ZcJmBUufRl
InChI InChI=1S/C9H6O3/c10-7-4-5-2-1-3-6(8(5)7)9(11)12/h1-3H,4H2,(H,11,12)
InChIKey NQFHXFSJVWAIEC-UHFFFAOYSA-N
Mol Weight 162.14 g/mol
Molecular Formula C9H6O3
Exact Mass 162.031694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98WlU2MskE8
Name 7-Oxobicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxylic acid
Alternate Name(s) 7-Oxo-5-bicyclo[4.2.0]octa-1,3,5-trienecarboxylic acid 7-Oxobicyclo[4.2.0]octa-1,3,5-triene-5-carboxylic acid 7-Oxidanylidenebicyclo[4.2.0]octa-1,3,5-triene-5-carboxylic acid
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Formula C9H6O3
InChI InChI=1S/C9H6O3/c10-7-4-5-2-1-3-6(8(5)7)9(11)12/h1-3H,4H2,(H,11,12)
InChIKey NQFHXFSJVWAIEC-UHFFFAOYSA-N
Molecular Weight 162.144 g/mol
SMILES OC(c1c2C(Cc2ccc1)=O)=O
SPLASH splash10-07f0-7900000000-2f2521fb6a478ce1da87
Source of Spectrum H-81-263-1
Wiley ID 1158447