| SpectraBase Compound ID | 5B4oaNDjLr5 |
|---|---|
| InChI | InChI=1S/C14H21BrO2/c15-3-1-2-13(16)17-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,1-8H2/t9-,10+,11-,12+,14- |
| InChIKey | BBHVOFPKUOGRJX-AOJFOUJGSA-N |
| Mol Weight | 301.22 g/mol |
| Molecular Formula | C14H21BrO2 |
| Exact Mass | 300.072493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8o4iDB7pqPO |
|---|---|
| Name | 4-Bromobutanoic acid, 2-adamantyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.072492914 u |
| Formula | C14H21BrO2 |
| InChI | InChI=1S/C14H21BrO2/c15-3-1-2-13(16)17-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,1-8H2/t9-,10+,11-,12+,14- |
| InChIKey | BBHVOFPKUOGRJX-AOJFOUJGSA-N |
| Molecular Weight | 301.224 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2OC(=O)CCCBr)(C[C@](C1)(C3)[H])[H])[H])[H] |