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METHYL-(1R,3R,3AR)-3-DICHLOROACETOXY-5,5-ETHYLENEDIOXY-3A-(2'-OXOETHYL)-2,3,3A,4,5,6-HEXAHYDRO-1H-INDENE-1-CARBOXYLATE
SpectraBase Compound ID 1kEUVnArvTz
InChI InChI=1S/C17H20Cl2O7/c1-23-14(21)10-8-12(26-15(22)13(18)19)16(4-5-20)9-17(3-2-11(10)16)24-6-7-25-17/h2,5,10,12-13H,3-4,6-9H2,1H3/t10-,12-,16-/m1/s1
InChIKey QHXCZLFWWKNVJZ-NSODJVPESA-N
Mol Weight 407.25 g/mol
Molecular Formula C17H20Cl2O7
Exact Mass 406.058608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeE0DazUMzc
Name Methyl (1R*,3R*,3aR*)-3-dichloroacetoxy-5,5-ethylenedioxy-3a-(2'-oxoethyl)-2,3,3a,4,5,6-hexahydro-1H-indene-1-carboxylate
Alternate Name(s) Methyl (1'R,3'R,3'aR)-3'-[(2,2-dichloroacetyl)oxy]-3'a-(2-oxoethyl)-1',2',3',3'a,4',6'-hexahydrospiro[1,3-dioxolane-2,5'-indene]-1'-carboxylate
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Formula C17H20Cl2O7
InChI InChI=1S/C17H20Cl2O7/c1-23-14(21)10-8-12(26-15(22)13(18)19)16(4-5-20)9-17(3-2-11(10)16)24-6-7-25-17/h2,5,10,12-13H,3-4,6-9H2,1H3/t10-,12-,16-/m1/s1
InChIKey QHXCZLFWWKNVJZ-NSODJVPESA-N
Molecular Weight 407.246 g/mol
SMILES C=12[C@]([C@](OC(C(Cl)Cl)=O)(C[C@]2(C(=O)OC)[H])[H])(CC2(CC1)OCCO2)CC=O
SPLASH splash10-000i-9011000000-20910a8a0b98de5a5fb3
Source of Spectrum B-45-227-0
Wiley ID 1371948