SpectraBase Compound ID | L4HJKfVDW7d |
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InChI | InChI=1S/C18H18I2/c19-15-1-13(2-15,3-15)17-7-10-8(17)12-9(17)11(7)18(10,12)14-4-16(20,5-14)6-14/h7-12H,1-6H2/t7-,8+,9-,10-,11+,12-,13?,14?,15-,16-,17-,18- |
InChIKey | CVLBESAOOQJJGM-UHFFFAOYSA-N |
Mol Weight | 488.15 g/mol |
Molecular Formula | C18H18I2 |
Exact Mass | 487.949791 g/mol |
SpectraBase Spectrum ID | 8uER2jPnmGG |
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Name | 1,4-bis(3-iodobicyclo[1.1.1][pent-1-yl)cubane |
CAS Registry Number | 124381-08-4 |
Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C18H18I2 |
InChI | InChI=1S/C18H18I2/c19-15-1-13(2-15,3-15)17-7-10-8(17)12-9(17)11(7)18(10,12)14-4-16(20,5-14)6-14/h7-12H,1-6H2/t7-,8+,9-,10-,11+,12-,13?,14?,15-,16-,17-,18- |
InChIKey | CVLBESAOOQJJGM-UHFFFAOYSA-N |
Molecular Weight | 488.151 g/mol |
SMILES | C12([C@]3([C@]4([C@@]1([C@@]1(C4(C45CC(C4)(I)C5)[C@]3([C@]21[H])[H])[H])[H])[H])[H])C12CC(C2)(I)C1 |
SPLASH | splash10-0gdi-8910000000-cdcf0a04d643a0a43fc0 |
Source of Spectrum | J-55-1015-8 |
Synonyms | 1,4-bis(3-iodobicyclo[1.1.1][ent-1-yl)cubane |
Wiley ID | 1396779 |