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(3S)-3-methyl-7,9-bis(oxidanyl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
SpectraBase Compound ID IQjfpt6sDqY
InChI InChI=1S/C14H12O5/c1-6-2-8-10(5-19-6)14(18)12-9(13(8)17)3-7(15)4-11(12)16/h3-4,6,15-16H,2,5H2,1H3/t6-/m0/s1
InChIKey PDEARLHDAXELBI-LURJTMIESA-N
Mol Weight 260.25 g/mol
Molecular Formula C14H12O5
Exact Mass 260.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sbzYU0ledU
Name (3S)-3-methyl-7,9-bis(oxidanyl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O5
InChI InChI=1S/C14H12O5/c1-6-2-8-10(5-19-6)14(18)12-9(13(8)17)3-7(15)4-11(12)16/h3-4,6,15-16H,2,5H2,1H3/t6-/m0/s1
InChIKey PDEARLHDAXELBI-LURJTMIESA-N
Molecular Weight 260.245 g/mol
SMILES Oc1c2C(C3=C(C(c2cc(c1)O)=O)C[C@@](OC3)(C)[H])=O
SPLASH splash10-00di-9010000000-c0057f0f20f2f7ef4147
Source of Spectrum K-2002-947-29
Synonyms (3S)-7,9-dihydroxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione (3S)-7,9-dihydroxy-3-methyl-3,4-dihydro-1H-benzo[g][2]benzopyran-5,10-dione (3S)-7,9-dihydroxy-3-methyl-3,4-dihydro-1H-benz[g]isochromene-5,10-quinone
Wiley ID 1581139