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3.beta.-Ethoxy-1,4,4a.alpha.,10a.alpha.-tetrahydro-3H,10H-pyrano[4,3-b][1]benzopyran-10-one
SpectraBase Compound ID Dnc5oPVIb3Z
InChI InChI=1S/C14H16O4/c1-2-16-13-7-12-10(8-17-13)14(15)9-5-3-4-6-11(9)18-12/h3-6,10,12-13H,2,7-8H2,1H3/t10-,12-,13+/m0/s1
InChIKey BKWANRCQXUPJGS-WCFLWFBJSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ViJfUODkjW
Name 3.beta.-Ethoxy-1,4,4a.alpha.,10a.alpha.-tetrahydro-3H,10H-pyrano[4,3-b][1]benzopyran-10-one
Comments Removed - expert review: contamination (chloroform))
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Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-2-16-13-7-12-10(8-17-13)14(15)9-5-3-4-6-11(9)18-12/h3-6,10,12-13H,2,7-8H2,1H3/t10-,12-,13+/m0/s1
InChIKey BKWANRCQXUPJGS-WCFLWFBJSA-N
Molecular Weight 248.278 g/mol
SMILES [C@@]12(C(c3ccccc3O[C@]2(C[C@@](OC1)(OCC)[H])[H])=O)[H]
SPLASH splash10-00di-3900000000-9d74260e9db79aef6381
Source of Spectrum F-50-11773-54
Synonyms (3R,4aR,10aS)-3-ethoxy-3,4,4a,10a-tetrahydro-1H,10H-pyrano[4,3-b]chromen-10-one (3R,4aS,10aS)-3-Ethoxy-3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromen-10-one 3.beta.-Ethoxy-1,4,4a.alpha.,10a.beta.-tetrahydro-3H,10H-pyrano[4,3-b][1]benzopyran-10-one
Wiley ID 789707