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Dimethyl peristictate
SpectraBase Compound ID 2YPTPc4O1wH
InChI InChI=1S/C21H18O10/c1-8-6-11(27-3)14(20(25)29-5)18-12(8)21(26)31-16-9(2)15(23)13(19(24)28-4)10(7-22)17(16)30-18/h6-7,23H,1-5H3
InChIKey PPAUTZLDGFYJMN-UHFFFAOYSA-N
Mol Weight 430.37 g/mol
Molecular Formula C21H18O10
Exact Mass 430.089997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MyiPfsKEkE
Name Dimethyl peristictate
Alternate Name(s) 2-Formyl-3,2'-bis(methoxycarbonyl)-3'-methoxy-4-hydroxy-5,5'-dimethyl-dibenzo[2,3-b : 6,7-b']-(1,4)-benzodioxepine
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Formula C21H18O10
InChI InChI=1S/C21H18O10/c1-8-6-11(27-3)14(20(25)29-5)18-12(8)21(26)31-16-9(2)15(23)13(19(24)28-4)10(7-22)17(16)30-18/h6-7,23H,1-5H3
InChIKey PPAUTZLDGFYJMN-UHFFFAOYSA-N
Molecular Weight 430.365 g/mol
SMILES Oc1c(c2c(c(c1C(=O)OC)C=O)Oc1c(c(cc(c1C(=O)OC)OC)C)C(O2)=O)C
SPLASH splash10-00xv-0109100000-dbfb7caba0ec86ad501a
Source of Spectrum B-53-817-13
Wiley ID 810992