| SpectraBase Spectrum ID |
5zdtPZTAXfA |
| Name |
2-Adamantanol, 2-(bromomethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.046278166 u |
| Formula |
C11H17BrO |
| InChI |
InChI=1S/C11H17BrO/c12-6-11(13)9-2-7-1-8(4-9)5-10(11)3-7/h7-10,13H,1-6H2/t7-,8+,9-,10+,11? |
| InChIKey |
PWWUWHMOPRWJLR-XICIVTQQSA-N |
| Molecular Weight |
245.160 g/mol |
| SMILES |
C1[C@]2(C[C@]3(C([C@@]1(C[C@@](C2)(C3)[H])[H])(O)CBr)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881211 |
