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3-methyl-4-phenyl-3-cyclobutene-1,2-dione
SpectraBase Compound ID EzFSJZWZCpj
InChI InChI=1S/C11H8O2/c1-7-9(11(13)10(7)12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey YOIYXYKBWMMKPY-UHFFFAOYSA-N
Mol Weight 172.18 g/mol
Molecular Formula C11H8O2
Exact Mass 172.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L60UpSmItF
Name 3-methyl-4-phenyl-3-cyclobutene-1,2-dione
Alternate Name(s) 3-methyl-4-phenyl-cyclobut-3-ene-1,2-dione 3-methyl-4-phenyl-cyclobut-3-ene-1,2-quinone
Comments Less than 3 mono-isotopic peaks
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Formula C11H8O2
InChI InChI=1S/C11H8O2/c1-7-9(11(13)10(7)12)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey YOIYXYKBWMMKPY-UHFFFAOYSA-N
Molecular Weight 172.183 g/mol
SMILES C1(=C(c2ccccc2)C(C1=O)=O)C
SPLASH splash10-014i-0900000000-73e8100a23e84f3579af
Source of Spectrum SK-25-2787-3
Wiley ID 866859