| SpectraBase Compound ID | 6x6uyBtWFaP |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-3-4-9(12)7(2)5-8(11)6-10/h3-4,7H,5H2,1-2H3/b4-3+ |
| InChIKey | WKHNQKLVTZRCHR-ONEGZZNKSA-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 | AHCoV7y9Ysc |
|---|---|
| Name | 6-Octenenitrile, 4-methyl-2,5-dioxo- |
| 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/c1-3-4-9(12)7(2)5-8(11)6-10/h3-4,7H,5H2,1-2H3/b4-3+ |
| InChIKey | WKHNQKLVTZRCHR-ONEGZZNKSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C(#N)C(CC(C(\C=C\C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957398 |