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Dimethyl 13-anti-18-anti-diiodononacyclo[12.6.0.0(2,6).0(4,11).0(5,9).0(7,20).0(10,17).0(12,16).0(15.19)]icosa-1(20),10-dien-3-anti,8-anti-dicarboxylate
SpectraBase Compound ID LcgNBusA2t7
InChI InChI=1S/C24H22I2O4/c1-29-23(27)19-9-3-4-10(19)6-8-12(4)20(24(28)30-2)11(3)7-5(9)15-13-14(16(6)21(15)25)18(8)22(26)17(7)13/h3-4,9-22H,1-2H3/t3-,4?,9+,10-,11-,12?,13?,14?,15+,16-,17?,18?,19-,20?,21+,22?/m0/s1
InChIKey RSEWONSHQRBJLJ-SFQRTYGSSA-N
Mol Weight 628.24 g/mol
Molecular Formula C24H22I2O4
Exact Mass 627.960749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LADTbLVIJSV
Name Dimethyl 13-anti-18-anti-diiodononacyclo[12.6.0.0(2,6).0(4,11).0(5,9).0(7,20).0(10,17).0(12,16).0(15.19)]icosa-1(20),10-dien-3-anti,8-anti-dicarboxylate
Alternate Name(s) Dimethyl 13,18-diiodononacyclo[12.6.0.0(2,6).0(4,11).0(5,9).0(7,20).0(10,17).0(12,16).0(15,19)]icosa-1(20),10-diene-3,8-dicarboxylate
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Formula C24H22I2O4
InChI InChI=1S/C24H22I2O4/c1-29-23(27)19-9-3-4-10(19)6-8-12(4)20(24(28)30-2)11(3)7-5(9)15-13-14(16(6)21(15)25)18(8)22(26)17(7)13/h3-4,9-22H,1-2H3/t3-,4?,9+,10-,11-,12?,13?,14?,15+,16-,17?,18?,19-,20?,21+,22?/m0/s1
InChIKey RSEWONSHQRBJLJ-SFQRTYGSSA-N
Molecular Weight 628.245 g/mol
SMILES C12=C3[C@]4(C(C(=O)OC)C5C6[C@]4([C@]2([C@@]([C@@]6(C2=C5C4C5C([C@@]1([C@]([C@@]25[H])(I)[H])[H])C3C4I)[H])(C(=O)OC)[H])[H])[H])[H]
SPLASH splash10-0kdi-0492001000-de1c7a01aa6b6dfeb109
Source of Spectrum QE-2-577-32
Wiley ID 842645