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Isoelecanacin
SpectraBase Compound ID jpORwdQbZg
InChI InChI=1S/C16H16O4/c1-8-7-16-10(6-12(16)20-8)14(17)13-9(15(16)18)4-3-5-11(13)19-2/h3-5,8,10,12H,6-7H2,1-2H3/t8-,10-,12?,16+/m1/s1
InChIKey QMRGGJUIIUABNT-PFBXHVHBSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ex0BOBqU5kt
Name Isoelecanacin
Alternate Name(s) (2R,3aS,4aS,10aS)-6-methoxy-2-methyl-4,4a-dihydro-1H-naphtho[2',3':2,3]cyclobuta[1,2-b]furan-5,10(2H,3aH)-dione
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Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-8-7-16-10(6-12(16)20-8)14(17)13-9(15(16)18)4-3-5-11(13)19-2/h3-5,8,10,12H,6-7H2,1-2H3/t8-,10-,12?,16+/m1/s1
InChIKey QMRGGJUIIUABNT-PFBXHVHBSA-N
Molecular Weight 272.300 g/mol
SMILES [C@]123C(c4cccc(c4C([C@@]3([H])CC1O[C@@](C2)(C)[H])=O)OC)=O
SPLASH splash10-0abl-2890000000-5ffbb3e7cc9e0b26aa0f
Source of Spectrum F5-4-873-16
Wiley ID 1732766