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(+/-)-CIS-6,7,9-TRIMETHOXY-1,3-DIMETHYL-3,4,5,10-TETRAHYDRO-1H-NAPHTO-[2,3-C]-PYRAN-5,10-DIONE;[(+/-)-VENTILOQUINONE-E]

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(+/-)-CIS-6,7,9-TRIMETHOXY-1,3-DIMETHYL-3,4,5,10-TETRAHYDRO-1H-NAPHTO-[2,3-C]-PYRAN-5,10-DIONE;[(+/-)-VENTILOQUINONE-E]
SpectraBase Compound ID xGM576LDEI
InChI InChI=1S/C18H20O6/c1-8-6-10-13(9(2)24-8)17(20)14-11(21-3)7-12(22-4)18(23-5)15(14)16(10)19/h7-9H,6H2,1-5H3/t8-,9+/m0/s1
InChIKey AIEBVACSHFUVDU-DTWKUNHWSA-N
Mol Weight 332.35 g/mol
Molecular Formula C18H20O6
Exact Mass 332.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Sm82P71BB
Name (1R,3S)-6,7,9-trimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
Alternate Name(s) (1R,3S)-6,7,9-trimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g][2]benzopyran-5,10-dione (1R,3S)-6,7,9-trimethoxy-1,3-dimethyl-3,4-dihydro-1H-benz[g]isochromene-5,10-quinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O6
InChI InChI=1S/C18H20O6/c1-8-6-10-13(9(2)24-8)17(20)14-11(21-3)7-12(22-4)18(23-5)15(14)16(10)19/h7-9H,6H2,1-5H3/t8-,9+/m0/s1
InChIKey AIEBVACSHFUVDU-DTWKUNHWSA-N
Molecular Weight 332.352 g/mol
SMILES C12=C(C(=O)c3c(C2=O)c(cc(OC)c3OC)OC)C[C@@](O[C@@]1(C)[H])(C)[H]
SPLASH splash10-0159-0009000000-20bc2f12d145643ffe25
Source of Spectrum H1-34-1841-10
Wiley ID 754669