![4-Chloranyl-1-azabicyclo[4.2.0]octan-8-one](/api/spectrum/5NOrlAfSpIY/structure.png?h=300&w=458 "4-Chloranyl-1-azabicyclo[4.2.0]octan-8-one")
| SpectraBase Compound ID | 1wpXzNBx881 |
|---|---|
| InChI | InChI=1S/C7H10ClNO/c8-5-1-2-9-6(3-5)4-7(9)10/h5-6H,1-4H2 |
| InChIKey | OASXBRKVINDEAC-UHFFFAOYSA-N |
| Mol Weight | 159.62 g/mol |
| Molecular Formula | C7H10ClNO |
| Exact Mass | 159.045092 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5NOrlAfSpIY |
|---|---|
| Name | 4-Chloranyl-1-azabicyclo[4.2.0]octan-8-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.045091645 u |
| Formula | C7H10ClNO |
| InChI | InChI=1S/C7H10ClNO/c8-5-1-2-9-6(3-5)4-7(9)10/h5-6H,1-4H2 |
| InChIKey | OASXBRKVINDEAC-UHFFFAOYSA-N |
| Molecular Weight | 159.616 g/mol |
| SMILES | C1(N2C(C1)CC(CC2)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964139 |