| SpectraBase Compound ID | 12xmV6pKuWN |
|---|---|
| InChI | InChI=1S/C9H15NO/c1-2-3-4-5-6-9(7-10)8-11/h6,11H,2-5,8H2,1H3/b9-6+ |
| InChIKey | QUGWQIJWDXXLGI-RMKNXTFCSA-N |
| Mol Weight | 153.22 g/mol |
| Molecular Formula | C9H15NO |
| Exact Mass | 153.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IYSoBws5xvn |
|---|---|
| Name | 3-Pentyl-2-cyanoallyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.115364106 u |
| Formula | C9H15NO |
| InChI | InChI=1S/C9H15NO/c1-2-3-4-5-6-9(7-10)8-11/h6,11H,2-5,8H2,1H3/b9-6+ |
| InChIKey | QUGWQIJWDXXLGI-RMKNXTFCSA-N |
| Molecular Weight | 153.225 g/mol |
| SMILES | C(#N)\C(=C/CCCCC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942103 |