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Methyl (1R*,3R*,3aR*)-3-dichloroacetoxy-5,5-ethylenedioxy-3a-(3'-methylbut-2'-enyl)-2,3,3a,4,5,6-hexahydro-1H-indene-1-carboxylate
SpectraBase Compound ID HZyvUkoDk2h
InChI InChI=1S/C20H26Cl2O6/c1-12(2)4-6-19-11-20(26-8-9-27-20)7-5-14(19)13(17(23)25-3)10-15(19)28-18(24)16(21)22/h4-5,13,15-16H,6-11H2,1-3H3/t13-,15-,19-/m1/s1
InChIKey LDCOYNLIZKNSDF-ZXYWRSMDSA-N
Mol Weight 433.33 g/mol
Molecular Formula C20H26Cl2O6
Exact Mass 432.110644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOtune2k5sO
Name Methyl (1R*,3R*,3aR*)-3-dichloroacetoxy-5,5-ethylenedioxy-3a-(3'-methylbut-2'-enyl)-2,3,3a,4,5,6-hexahydro-1H-indene-1-carboxylate
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Formula C20H26Cl2O6
InChI InChI=1S/C20H26Cl2O6/c1-12(2)4-6-19-11-20(26-8-9-27-20)7-5-14(19)13(17(23)25-3)10-15(19)28-18(24)16(21)22/h4-5,13,15-16H,6-11H2,1-3H3/t13-,15-,19-/m1/s1
InChIKey LDCOYNLIZKNSDF-ZXYWRSMDSA-N
Molecular Weight 433.328 g/mol
SMILES [C@@]12(C([C@](C(=O)OC)(C[C@]2(OC(C(Cl)Cl)=O)[H])[H])=CCC2(C1)OCCO2)CC=C(C)C
SPLASH splash10-000i-2195000000-e5a90b7006b91c98caf0
Source of Spectrum B-45-227-0
Synonyms Methyl (1'R,3'R,3'aR)-3'-[(2,2-dichloroacetyl)oxy]-3'a-(3-methylbut-2-en-1-yl)-1',2',3',3'a,4',6'-hexahydrospiro[1,3-dioxolane-2,5'-indene]-1'-carboxylate
Wiley ID 1382153