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2-Methyl-3-(4-tertbutyl-benzoyl)-4a,8a-dihydro-[1,4]naphthoquinone
SpectraBase Compound ID BXD70ehOHLt
InChI InChI=1S/C22H20O3/c1-13-18(21(25)17-8-6-5-7-16(17)19(13)23)20(24)14-9-11-15(12-10-14)22(2,3)4/h5-12H,1-4H3
InChIKey GRHQKMOMRUCYDS-UHFFFAOYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C22H20O3
Exact Mass 332.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yhpJ3yd2BH
Name 2-Methyl-3-(4-tertbutyl-benzoyl)-4a,8a-dihydro-[1,4]naphthoquinone
Appearance Yellow solid
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Formula C22H20O3
InChI InChI=1S/C22H20O3/c1-13-18(21(25)17-8-6-5-7-16(17)19(13)23)20(24)14-9-11-15(12-10-14)22(2,3)4/h5-12H,1-4H3
InChIKey GRHQKMOMRUCYDS-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 332.399 g/mol
SMILES c1cc2c(C(C(=C(C2=O)C)C(c2ccc(cc2)C(C)(C)C)=O)=O)cc1
SPLASH splash10-004i-0391000000-95a1d7b6124c7891fb3f
Source of Spectrum US20110059972A1
Wiley ID 1861698