![4-Oxa-3-oxospiro[6.2]nonanecarbonitrile](/api/spectrum/DLdKAF4NUY2/structure.png?h=300&w=458 "4-Oxa-3-oxospiro[6.2]nonanecarbonitrile")
| SpectraBase Compound ID | BZYncX4VWBX |
|---|---|
| InChI | InChI=1S/C9H11NO2/c10-6-7-5-8(11)12-4-3-9(7)1-2-9/h7H,1-5H2 |
| InChIKey | ZQTMHESLHNXWOJ-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DLdKAF4NUY2 |
|---|---|
| Name | 4-oxa-3-Oxospiro[6.2]nonanecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c10-6-7-5-8(11)12-4-3-9(7)1-2-9/h7H,1-5H2 |
| InChIKey | ZQTMHESLHNXWOJ-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C12(CC2)C(C#N)CC(=O)OCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894857 |