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2-[(1R,3S)-9-hydroxy-5,10-diketo-1-propyl-3,4-dihydro-1H-benz[g]isochromen-3-yl]acetic acid methyl ester
SpectraBase Compound ID 9kswToZXZPp
InChI InChI=1S/C19H20O6/c1-3-5-14-17-12(8-10(25-14)9-15(21)24-2)18(22)11-6-4-7-13(20)16(11)19(17)23/h4,6-7,10,14,20H,3,5,8-9H2,1-2H3/t10-,14+/m0/s1
InChIKey WBMODGJRMQELTN-IINYFYTJSA-N
Mol Weight 344.36 g/mol
Molecular Formula C19H20O6
Exact Mass 344.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29sr9zkQMMP
Name 2-[(1R,3S)-9-hydroxy-5,10-diketo-1-propyl-3,4-dihydro-1H-benz[g]isochromen-3-yl]acetic acid methyl ester
Alternate Name(s) 2-[(1R,3S)-9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl]acetic acid methyl ester Methyl 2-[(1R,3S)-9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetate Methyl 2-[(1R,3S)-9-oxidanyl-5,10-bis(oxidanylidene)-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoate
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Formula C19H20O6
InChI InChI=1S/C19H20O6/c1-3-5-14-17-12(8-10(25-14)9-15(21)24-2)18(22)11-6-4-7-13(20)16(11)19(17)23/h4,6-7,10,14,20H,3,5,8-9H2,1-2H3/t10-,14+/m0/s1
InChIKey WBMODGJRMQELTN-IINYFYTJSA-N
Molecular Weight 344.363 g/mol
SMILES Oc1c2C(C3=C(C(=O)c2ccc1)C[C@](O[C@@]3(CCC)[H])(CC(=O)OC)[H])=O
SPLASH splash10-0006-0096000000-54cafb3370073913a63e
Source of Spectrum KC-0-495-15
Wiley ID 780527