| SpectraBase Compound ID | DSZuqu5wJZ1 |
|---|---|
| InChI | InChI=1S/C9H8N2O/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4H2 |
| InChIKey | JBVFXQZTZBMSKZ-UHFFFAOYSA-N |
| Mol Weight | 160.18 g/mol |
| Molecular Formula | C9H8N2O |
| Exact Mass | 160.063663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9Rfp58Li7L4 |
|---|---|
| Name | Propanedinitrile, (4-oxocyclohexylidene)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.063662885 u |
| Formula | C9H8N2O |
| InChI | InChI=1S/C9H8N2O/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-4H2 |
| InChIKey | JBVFXQZTZBMSKZ-UHFFFAOYSA-N |
| Molecular Weight | 160.176 g/mol |
| SMILES | C1(=O)CCC(CC1)=C(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93798 |