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(+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1,2,2a,8b-Tetrahydro-8b-hydroxy-1-(p-methoxyphenyl)cyclobuta[a]naphthalene-3,4-dione
SpectraBase Compound ID CcKS1X4a9fD
InChI InChI=1S/C19H16O4/c1-23-12-8-6-11(7-9-12)15-10-16-18(21)17(20)13-4-2-3-5-14(13)19(15,16)22/h2-9,15-16,22H,10H2,1H3/t15-,16-,19+/m0/s1
InChIKey TZUGSZGAMJHWHA-TXPKVOOTSA-N
Mol Weight 308.33 g/mol
Molecular Formula C19H16O4
Exact Mass 308.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LraM9lRFoo
Name (+-)-(1.alpha.,2a.alpha.,8b.alpha.)-1,2,2a,8b-Tetrahydro-8b-hydroxy-1-(p-methoxyphenyl)cyclobuta[a]naphthalene-3,4-dione
Alternate Name(s) (1S,2aR,8bR)-8b-hydroxy-1-(4-methoxyphenyl)-1,2,2a,8b-tetrahydrocyclobuta[a]naphthalene-3,4-dione
Comments Less than 3 mono-isotopic peaks
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Formula C19H16O4
InChI InChI=1S/C19H16O4/c1-23-12-8-6-11(7-9-12)15-10-16-18(21)17(20)13-4-2-3-5-14(13)19(15,16)22/h2-9,15-16,22H,10H2,1H3/t15-,16-,19+/m0/s1
InChIKey TZUGSZGAMJHWHA-TXPKVOOTSA-N
Molecular Weight 308.333 g/mol
SMILES O[C@@]12[C@@](C(=O)C(c3c2cccc3)=O)([H])C[C@]1(c1ccc(cc1)OC)[H]
SPLASH splash10-001i-0901000000-7740a47e72ec0239dab4
Source of Spectrum KC-0-119-6
Wiley ID 775834