![1-Oxaspiro[2.5]octane-2-carbonitrile](/api/spectrum/1yJoSiuIpFt/structure.png?h=300&w=458 "1-Oxaspiro[2.5]octane-2-carbonitrile")
| SpectraBase Compound ID | RspOh4iuB0 |
|---|---|
| InChI | InChI=1S/C8H11NO/c9-6-7-8(10-7)4-2-1-3-5-8/h7H,1-5H2 |
| InChIKey | XHQXDTZBGXZOTI-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1yJoSiuIpFt |
|---|---|
| Name | 1-Oxaspiro[2.5]octane-2-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c9-6-7-8(10-7)4-2-1-3-5-8/h7H,1-5H2 |
| InChIKey | XHQXDTZBGXZOTI-UHFFFAOYSA-N |
| Molecular Weight | 137.182 g/mol |
| SMILES | C12(C(C#N)O2)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809131 |