| SpectraBase Spectrum ID |
6An1PoLND8y |
| Name |
5-Bromovaleric acid, 2-(1-adamantyl)ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.119443107 u |
| Formula |
C17H27BrO2 |
| InChI |
InChI=1S/C17H27BrO2/c18-5-2-1-3-16(19)20-6-4-17-10-13-7-14(11-17)9-15(8-13)12-17/h13-15H,1-12H2/t13-,14+,15-,17+ |
| InChIKey |
DWFTVALNRLUJIW-OOIBXKBGSA-N |
| Molecular Weight |
343.305 g/mol |
| SMILES |
C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])CCOC(CCCCBr)=O)[H] |
