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(4aS,11bR)-2,2,4,4-Tetramethyl-4,4a-dihydro-[1,3]dioxino[4',5':4,5]furo[3,2-g]chromen-8(11bH)-one
SpectraBase Compound ID k84FfVmdv1
InChI InChI=1S/C17H18O5/c1-16(2)15-14(21-17(3,4)22-16)10-7-9-5-6-13(18)19-11(9)8-12(10)20-15/h5-8,14-15H,1-4H3/t14-,15+/m1/s1
InChIKey LOTXQPPJKIUMBH-CABCVRRESA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BJh4Ci1uBx
Name (4aS,11bR)-2,2,4,4-Tetramethyl-4,4a-dihydro-[1,3]dioxino[4',5':4,5]furo[3,2-g]chromen-8(11bH)-one
Appearance Colorless solid
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Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-16(2)15-14(21-17(3,4)22-16)10-7-9-5-6-13(18)19-11(9)8-12(10)20-15/h5-8,14-15H,1-4H3/t14-,15+/m1/s1
InChIKey LOTXQPPJKIUMBH-CABCVRRESA-N
Instrument Name Finnigan SSQ7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.123
Optical Rotation [a]D23 = -40.0 (c = 0.5, CHCl3)
Reported Formula C17H18O5
SMILES C1(C=Cc2cc3c(cc2O1)O[C@]1([C@@]3(OC(OC1(C)C)(C)C)[H])[H])=O
SPLASH splash10-000i-0922000000-3499ae524239aefb97c5
Source of Spectrum BJO-8-SM12-21
Thin-Layer Chromatography Rf = 0.30 (pentane/diethylether, 1:1)
Wiley ID 1864894