| SpectraBase Spectrum ID |
DIRYe7L1HSr |
| Name |
2-(1-Adamantyl)ethynyl bromide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.035713483 u |
| Formula |
C12H15Br |
| InChI |
InChI=1S/C12H15Br/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2/t9-,10+,11-,12+ |
| InChIKey |
WEPVFPCFCBMMEP-BKUVIOGVSA-N |
| Molecular Weight |
239.156 g/mol |
| SMILES |
C12(C#CBr)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944237 |
