| SpectraBase Compound ID | IsPGQKYvDQr |
|---|---|
| InChI | InChI=1S/C12H18BrNO/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,14,15)/t8-,9+,10-,12- |
| InChIKey | PRIHBWFFGUPPOR-GOCCLTDMSA-N |
| Mol Weight | 272.19 g/mol |
| Molecular Formula | C12H18BrNO |
| Exact Mass | 271.057177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTFAtumjzdk |
|---|---|
| Name | N-(1-Adamantyl)-2-bromanyl-ethanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.057177203 u |
| Formula | C12H18BrNO |
| InChI | InChI=1S/C12H18BrNO/c13-7-11(15)14-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H,14,15)/t8-,9+,10-,12- |
| InChIKey | PRIHBWFFGUPPOR-GOCCLTDMSA-N |
| SMILES | C12(NC(=O)CBr)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |