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4a-Methyl-4,4a,5,6-tetrahydro-2(3H),7-indendione
SpectraBase Compound ID LcKKWfJVdlf
InChI InChI=1S/C10H12O2/c1-10-4-2-7(11)6-8(10)9(12)3-5-10/h6H,2-5H2,1H3/t10-/m1/s1
InChIKey IJKVVTPIUSNVHQ-SNVBAGLBSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6sro5Vy4YW
Name 4a-Methyl-4,4a,5,6-tetrahydro-2(3H),7-indendione
Alternate Name(s) (R)-3a-Methyl-3,3a,4,5-tetrahydro-2H-indene-1,6-dione 3a-Methyl-3,3a,4,5-tetrahydro-2H-indene-1,6-dione
Comments Less than 3 mono-isotopic peaks
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Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-10-4-2-7(11)6-8(10)9(12)3-5-10/h6H,2-5H2,1H3/t10-/m1/s1
InChIKey IJKVVTPIUSNVHQ-SNVBAGLBSA-N
Molecular Weight 164.204 g/mol
SMILES C=12[C@@](CCC2=O)(CCC(C1)=O)C
SPLASH splash10-000i-0900000000-c7c5aca5402f4a77ecbc
Source of Spectrum QC-6-2817-4
Wiley ID 883915