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Diallyl 2,6-Bis[3,4-(methylenedioxy)phenyl]-3,7-dioxobicyclo[3.3.0]octane-2,6-dicarboxylate
SpectraBase Compound ID EpGeZMdXsMu
InChI InChI=1S/C30H26O10/c1-3-9-35-27(33)29(17-5-7-21-23(11-17)39-15-37-21)19-13-26(32)30(20(19)14-25(29)31,28(34)36-10-4-2)18-6-8-22-24(12-18)40-16-38-22/h3-8,11-12,19-20H,1-2,9-10,13-16H2/t19?,20?,29-,30-/m1/s1
InChIKey PDNCDHLDWWXXER-KXZOJGEJSA-N
Mol Weight 546.53 g/mol
Molecular Formula C30H26O10
Exact Mass 546.152597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FcPsiDCfst
Name Diallyl 2,6-Bis[3,4-(methylenedioxy)phenyl]-3,7-dioxobicyclo[3.3.0]octane-2,6-dicarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H26O10
InChI InChI=1S/C30H26O10/c1-3-9-35-27(33)29(17-5-7-21-23(11-17)39-15-37-21)19-13-26(32)30(20(19)14-25(29)31,28(34)36-10-4-2)18-6-8-22-24(12-18)40-16-38-22/h3-8,11-12,19-20H,1-2,9-10,13-16H2/t19?,20?,29-,30-/m1/s1
InChIKey PDNCDHLDWWXXER-KXZOJGEJSA-N
Molecular Weight 546.528 g/mol
SMILES [C@]1(C2C([C@@](c3cc4OCOc4cc3)(C(=O)OCC=C)C(C2)=O)CC1=O)(c1cc2OCOc2cc1)C(=O)OCC=C
SPLASH splash10-0006-9000010000-df712557eb470b7b5cc1
Source of Spectrum J-60-3061-20
Synonyms (1S,4S)-1,4-Bis-benzo[1,3]dioxol-5-yl-2,5-dioxo-octahydro-pentalene-1,4-dicarboxylic acid diallyl ester diallyl 1,4-di(1,3-benzodioxol-5-yl)-2,5-dioxooctahydro-1,4-pentalenedicarboxylate
Wiley ID 1405247