| SpectraBase Compound ID | I5nf58r9our |
|---|---|
| InChI | InChI=1S/C10H13NO/c1-10(12)8-6-4-2-3-5-7-9-11/h5-8H,2-4H2,1H3/b7-5+,8-6+ |
| InChIKey | JPBDPLLIUKLJEQ-KQQUZDAGSA-N |
| Mol Weight | 163.22 g/mol |
| Molecular Formula | C10H13NO |
| Exact Mass | 163.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6LJ71Sl8vit |
|---|---|
| Name | 9-oxo-2(E),7E)-Decadienenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 163.099714042 u |
| Formula | C10H13NO |
| InChI | InChI=1S/C10H13NO/c1-10(12)8-6-4-2-3-5-7-9-11/h5-8H,2-4H2,1H3/b7-5+,8-6+ |
| InChIKey | JPBDPLLIUKLJEQ-KQQUZDAGSA-N |
| Molecular Weight | 163.220 g/mol |
| SMILES | C(#N)\C=C\CCC\C=C\C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801837 |