| SpectraBase Compound ID | F7WmKxJl29R |
|---|---|
| InChI | InChI=1S/C31H45Br/c32-31(28-10-19-1-20(11-28)3-21(2-19)12-28,29-13-22-4-23(14-29)6-24(5-22)15-29)30-16-25-7-26(17-30)9-27(8-25)18-30/h19-27H,1-18H2/t19-,20+,21-,22-,23+,24-,25-,26+,27-,28-,29-,30- |
| InChIKey | KZTSZEDMNKQOTQ-CCUSEENBSA-N |
| Mol Weight | 497.6 g/mol |
| Molecular Formula | C31H45Br |
| Exact Mass | 496.270464 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GEHC1np2ehx |
|---|---|
| Name | Tri-1-adamantylmethyl bromide |
| Alternate Name(s) | 1-[di(1-adamantyl)(bromo)methyl]adamantane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H45Br |
| InChI | InChI=1S/C31H45Br/c32-31(28-10-19-1-20(11-28)3-21(2-19)12-28,29-13-22-4-23(14-29)6-24(5-22)15-29)30-16-25-7-26(17-30)9-27(8-25)18-30/h19-27H,1-18H2/t19-,20+,21-,22-,23+,24-,25-,26+,27-,28-,29-,30- |
| InChIKey | KZTSZEDMNKQOTQ-CCUSEENBSA-N |
| Molecular Weight | 497.605 g/mol |
| SMILES | C(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])(C12C[C@]3(C[C@](C[C@@](C2)(C3)[H])(C1)[H])[H])Br |
| SPLASH | splash10-000i-0900000000-025136eb3c0647e7808c |
| Source of Spectrum | KC-0-2024-0 |
| Wiley ID | 820704 |