| SpectraBase Compound ID | KbkLLMOmQ7U |
|---|---|
| InChI | InChI=1S/C12H18BrNO/c1-14-10(15)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7H2,1H3,(H,14,15) |
| InChIKey | GACYGOWXSXYLNX-UHFFFAOYSA-N |
| Mol Weight | 272.19 g/mol |
| Molecular Formula | C12H18BrNO |
| Exact Mass | 271.057177 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7UQEj2UBnDg |
|---|---|
| Name | 3-Bromoadamantane-1-carboxamide, N-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.057177203 u |
| Formula | C12H18BrNO |
| InChI | InChI=1S/C12H18BrNO/c1-14-10(15)11-3-8-2-9(4-11)6-12(13,5-8)7-11/h8-9H,2-7H2,1H3,(H,14,15) |
| InChIKey | GACYGOWXSXYLNX-UHFFFAOYSA-N |
| SMILES | C12(Br)CC3(CC(C2)CC(C1)C3)C(=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856983 |