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3'',4''-methylenedioxyendiandric acid methyl ester

View entire compound with spectra: 1 MS (GC)

3'',4''-methylenedioxyendiandric acid methyl ester
SpectraBase Compound ID G3cFk0PZXED
InChI InChI=1S/C23H24O4/c1-25-21(24)10-17-16-6-5-15-14(4-2-13-8-18(17)23(16)22(13)15)12-3-7-19-20(9-12)27-11-26-19/h2-7,9,13-18,22-23H,8,10-11H2,1H3/t13-,14+,15+,16-,17-,18+,22-,23-/m1/s1
InChIKey JFWWQOPAMIFEOX-KTVRNDTLSA-N
Mol Weight 364.44 g/mol
Molecular Formula C23H24O4
Exact Mass 364.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2gvcgl7H9p4
Name 3'',4''-methylenedioxyendiandric acid methyl ester
Alternate Name(s) 3'',4''-methylenedioxyendiandric acid methyl ester Methyl[(1S,1aS,2aS,5R,5aR,7aR,7bS,7cS)-5-(1,3-benzodioxol-5-yl)-1a,2,2a,5,5a,7a,7b,7c-octahydro-1H-cyclobuta[bc]acenaphthylen-1-yl]acetate
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Formula C23H24O4
InChI InChI=1S/C23H24O4/c1-25-21(24)10-17-16-6-5-15-14(4-2-13-8-18(17)23(16)22(13)15)12-3-7-19-20(9-12)27-11-26-19/h2-7,9,13-18,22-23H,8,10-11H2,1H3/t13-,14+,15+,16-,17-,18+,22-,23-/m1/s1
InChIKey JFWWQOPAMIFEOX-KTVRNDTLSA-N
Molecular Weight 364.441 g/mol
SMILES [C@@]12([C@]3([C@@]4([C@](c5cc6OCOc6cc5)(C=C[C@]3([H])C[C@]1([C@](CC(=O)OC)([C@]2(C=C4)[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-03kr-1922000000-da79b6deae3d0085bd72
Source of Spectrum B-47-587-0
Wiley ID 1351069