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SEMIVIOXANTHIN
SpectraBase Compound ID G3wl8UlDS56
InChI InChI=1S/C15H14O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h4-7,16-17H,3H2,1-2H3/t7-/m1/s1
InChIKey BWNCKEBBYADFPQ-SSDOTTSWSA-N
Mol Weight 274.27 g/mol
Molecular Formula C15H14O5
Exact Mass 274.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtoqqwCRori
Name 7-Methoxy-3-methyl-9,10-bis(oxidanyl)-3,4-dihydrobenzo[g]isochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14O5
InChI InChI=1S/C15H14O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h4-7,16-17H,3H2,1-2H3/t7-/m1/s1
InChIKey BWNCKEBBYADFPQ-SSDOTTSWSA-N
Molecular Weight 274.272 g/mol
SMILES Oc1c2c(cc(cc2cc2C[C@](OC(c12)=O)(C)[H])OC)O
SPLASH splash10-05i0-0090000000-ec6c5915cd732a76282c
Source of Spectrum K1-2001-214-2
Synonyms 9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one 9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g][2]benzopyran-1-one 9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenz[g]isochromen-1-one (3R)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g][2]benzopyran-1-one (3R)-9,10-dihydroxy-7-methoxy-3-methyl-3,4-dihydrobenzo[g]isochromen-1-one (3R)-7-methoxy-3-methyl-9,10-bis(oxidanyl)-3,4-dihydrobenzo[g]isochromen-1-one
Wiley ID 846591