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3-deuterio-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
SpectraBase Compound ID HGXSSyPnzrd
InChI InChI=1S/C11H8O2/c1-7-2-4-8(5-3-7)9-6-10(12)11(9)13/h2-6H,1H3/i6D
InChIKey LPOXRTHOPDSBGN-RAMDWTOOSA-N
Mol Weight 173.19 g/mol
Molecular Formula C11H7DO2
Exact Mass 173.058706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je8MWfXWtNg
Name 3-deuterio-4-(4-methylphenyl)cyclobut-3-ene-1,2-dione
Alternate Name(s) 3-deuterio-4-(p-tolyl)cyclobut-3-ene-1,2-dione 3-deuterio-4-(p-tolyl)cyclobut-3-ene-1,2-quinone
Comments Less than 3 mono-isotopic peaks
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Formula C11H7DO2
InChI InChI=1S/C11H8O2/c1-7-2-4-8(5-3-7)9-6-10(12)11(9)13/h2-6H,1H3/i6D
InChIKey LPOXRTHOPDSBGN-RAMDWTOOSA-N
Molecular Weight 173.189 g/mol
SMILES C1(=C([D])C(C1=O)=O)c1ccc(cc1)C
SPLASH splash10-014i-0900000000-11c96d7c4d908cca10fd
Source of Spectrum J-61-2093-15
Wiley ID 1169293