| SpectraBase Spectrum ID |
IaIrYTudyTg |
| Name |
5-Chlorovaleric acid, 2-adamantyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.138657679 u |
| Formula |
C15H23ClO2 |
| InChI |
InChI=1S/C15H23ClO2/c16-4-2-1-3-14(17)18-15-12-6-10-5-11(8-12)9-13(15)7-10/h10-13,15H,1-9H2/t10-,11+,12-,13+,15? |
| InChIKey |
XEDXKFLTKHZQND-VOIJVTEESA-N |
| Molecular Weight |
270.800 g/mol |
| SMILES |
C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])(=O)CCCCCl |
