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Dimethyl anti-14,anti-19-diiodoundecacyclo[9.9.0.0(1,5).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-syn-4,syn-9-dicarboxylate

View entire compound with spectra: 2 MS (GC)

Dimethyl anti-14,anti-19-diiodoundecacyclo[9.9.0.0(1,5).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-syn-4,syn-9-dicarboxylate
SpectraBase Compound ID AtvBsMdSPLN
InChI InChI=1S/C24H22I2O4/c1-29-19(27)7-9-3-4-10(7)22-14-6-5-13(17(14)25)21(9,22)23-11(3)8(20(28)30-2)12(4)24(22,23)16(6)18(26)15(5)23/h3-18H,1-2H3
InChIKey IBHFZPHFOZWOLV-UHFFFAOYSA-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 Dom0NTTvoSJ
Name Dimethyl anti-14,anti-19-diiodoundecacyclo[9.9.0.0(1,5).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-syn-4,syn-9-dicarboxylate
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Formula C24H22I2O4
InChI InChI=1S/C24H22I2O4/c1-29-19(27)7-9-3-4-10(7)22-14-6-5-13(17(14)25)21(9,22)23-11(3)8(20(28)30-2)12(4)24(22,23)16(6)18(26)15(5)23/h3-18H,1-2H3
InChIKey IBHFZPHFOZWOLV-UHFFFAOYSA-N
Molecular Weight 628.245 g/mol
SMILES C123C45C6C(C3C3C6C6C55C2(C3C6C(=O)OC)C2C(I)C5C3C2C1C(I)C43)C(=O)OC
SPLASH splash10-0f96-0905075000-212c2253adeaea0f7525
Source of Spectrum K-124-1285-33
Synonyms Dimethyl 14,19-diiodoundecacyclo[9.9.0.0(1,5).0(2,12).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-4,9-dicarboxylate Dimethyl 14-anti,19-anti-Diiodoundecacyclo[9.9.0.0(1,5).0(2,12).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-4-syn,9-syn-dicarboxylate
Wiley ID 1411971