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6-Acetoxy-mellein
SpectraBase Compound ID HnAdyYiU0og
InChI InChI=1S/C12H12O5/c1-6-3-8-4-9(17-7(2)13)5-10(14)11(8)12(15)16-6/h4-6,14H,3H2,1-2H3/t6-/m0/s1
InChIKey LHRPKDJGEZSORE-LURJTMIESA-N
Mol Weight 236.22 g/mol
Molecular Formula C12H12O5
Exact Mass 236.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4UtO1NBNoG
Name 6-Acetoxy-mellein
Alternate Name(s) 3-Methyl-6-Acetoxy-8-hydroxy-1,2,3,4-tetrahydrobenzo-isopyran-1-one Acetic acid [(3S)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-6-yl] ester [(3S)-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromen-6-yl] acetate [(3S)-8-hydroxy-3-methyl-1-oxo-isochroman-6-yl] acetate [(3S)-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-6-yl] ethanoate
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Formula C12H12O5
InChI InChI=1S/C12H12O5/c1-6-3-8-4-9(17-7(2)13)5-10(14)11(8)12(15)16-6/h4-6,14H,3H2,1-2H3/t6-/m0/s1
InChIKey LHRPKDJGEZSORE-LURJTMIESA-N
Molecular Weight 236.223 g/mol
SMILES Oc1c2C(O[C@](Cc2cc(c1)OC(=O)C)(C)[H])=O
SPLASH splash10-0f6x-0910000000-bd662153c150696f31a9
Source of Spectrum X2-54-1296-5
Wiley ID 1604220