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3.beta.,4.beta.-Bis(3',4'-dimethoxyphenyl)-1.alpha.,2.alpha.-cyclobutanedicarboxylic acid
SpectraBase Compound ID AVoq7Wk3fai
InChI InChI=1S/C22H24O8/c1-27-13-7-5-11(9-15(13)29-3)17-18(20(22(25)26)19(17)21(23)24)12-6-8-14(28-2)16(10-12)30-4/h5-10,17-20H,1-4H3,(H,23,24)(H,25,26)/t17-,18+,19+,20-
InChIKey HGPRPBDOUGTHSB-JVSBHGNQSA-N
Mol Weight 416.43 g/mol
Molecular Formula C22H24O8
Exact Mass 416.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvDr14kNhEz
Name 3.beta.,4.beta.-Bis(3',4'-dimethoxyphenyl)-1.alpha.,2.alpha.-cyclobutanedicarboxylic acid
Alternate Name(s) (1R,2S,3R,4S)-3,4-bis(3,4-dimethoxyphenyl)-1,2-cyclobutanedicarboxylic acid (1R,2S,3R,4S)-3,4-bis(3,4-dimethoxyphenyl)cyclobutane-1,2-dicarboxylic acid
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Formula C22H24O8
InChI InChI=1S/C22H24O8/c1-27-13-7-5-11(9-15(13)29-3)17-18(20(22(25)26)19(17)21(23)24)12-6-8-14(28-2)16(10-12)30-4/h5-10,17-20H,1-4H3,(H,23,24)(H,25,26)/t17-,18+,19+,20-
InChIKey HGPRPBDOUGTHSB-JVSBHGNQSA-N
Molecular Weight 416.426 g/mol
SMILES OC([C@]1([C@@](C(=O)O)([C@@]([C@@]1(c1cc(OC)c(cc1)OC)[H])(c1cc(OC)c(cc1)OC)[H])[H])[H])=O
SPLASH splash10-14i3-0599000000-a8a7675150267f22f9f0
Source of Spectrum F2-42-3123-7
Wiley ID 1600288