![3-Azabicyclo[3.2.1]octan-2-one](/api/spectrum/EJJuTaBTfHk/structure.png?h=300&w=458 "3-Azabicyclo[3.2.1]octan-2-one")
| SpectraBase Compound ID | KG1XZ8WhXJ8 |
|---|---|
| InChI | InChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9)/t5-,6+/m0/s1 |
| InChIKey | VIJCSXWSAGILRP-NTSWFWBYSA-N |
| Mol Weight | 125.17 g/mol |
| Molecular Formula | C7H11NO |
| Exact Mass | 125.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EJJuTaBTfHk |
|---|---|
| Name | 3-Azabicyclo[3.2.1]octan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.084063977 u |
| Formula | C7H11NO |
| InChI | InChI=1S/C7H11NO/c9-7-6-2-1-5(3-6)4-8-7/h5-6H,1-4H2,(H,8,9)/t5-,6+/m0/s1 |
| InChIKey | VIJCSXWSAGILRP-NTSWFWBYSA-N |
| Molecular Weight | 125.171 g/mol |
| SMILES | C1([C@]2(C[C@@](CN1)(CC2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910705 |