![1-Azabicyclo[2.2.1]heptan-3-one](/api/spectrum/9fIFVo73BCU/structure.png?h=300&w=458 "1-Azabicyclo[2.2.1]heptan-3-one")
| SpectraBase Compound ID | 8ywo3O7NCEZ |
|---|---|
| InChI | InChI=1S/C6H9NO/c8-6-4-7-2-1-5(6)3-7/h5H,1-4H2/t5-/m0/s1 |
| InChIKey | VZPRMKOCTSUHCR-YFKPBYRVSA-N |
| Mol Weight | 111.14 g/mol |
| Molecular Formula | C6H9NO |
| Exact Mass | 111.068414 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9fIFVo73BCU |
|---|---|
| Name | 1-Azabicyclo[2.2.1]heptan-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.068413913 u |
| Formula | C6H9NO |
| InChI | InChI=1S/C6H9NO/c8-6-4-7-2-1-5(6)3-7/h5H,1-4H2/t5-/m0/s1 |
| InChIKey | VZPRMKOCTSUHCR-YFKPBYRVSA-N |
| Molecular Weight | 111.144 g/mol |
| SMILES | [C@]12(C(CN(CC2)C1)=O)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.953216 |