| SpectraBase Compound ID | K78nDe8lgNe |
|---|---|
| InChI | InChI=1S/C20H31I/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14,18H,5-11,13H2,1-4H3/t18?,19-,20+/m0/s1 |
| InChIKey | GCQAWCORVIDBRN-NRRUETGQSA-N |
| Mol Weight | 398.37 g/mol |
| Molecular Formula | C20H31I |
| Exact Mass | 398.147046 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EnajH4Gu1GD |
|---|---|
| Name | 18-Iodopalustradiene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H31I |
| InChI | InChI=1S/C20H31I/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14,18H,5-11,13H2,1-4H3/t18?,19-,20+/m0/s1 |
| InChIKey | GCQAWCORVIDBRN-NRRUETGQSA-N |
| Molecular Weight | 398.372 g/mol |
| SMILES | C=12[C@@]3(C([C@@](CI)(C)CCC3)CCC1C=C(CC2)C(C)C)C |
| SPLASH | splash10-000t-1629000000-b202f10e9e9ab62ff9c4 |
| Source of Spectrum | KC-57-6164-8 |
| Wiley ID | 1625058 |