| SpectraBase Compound ID | JM9fO9n2Rmq |
|---|---|
| InChI | InChI=1S/C10H9N/c1-7-9(6-11)5-8-3-2-4-10(7)8/h2-3,5,9H,4H2,1H3 |
| InChIKey | MMBPPLYMXUXJDJ-UHFFFAOYSA-N |
| Mol Weight | 143.19 g/mol |
| Molecular Formula | C10H9N |
| Exact Mass | 143.073499 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5rPASBk5df |
|---|---|
| Name | 3-Methyl-2,4-dihydro-2-pentalenecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.073499294 u |
| Formula | C10H9N |
| InChI | InChI=1S/C10H9N/c1-7-9(6-11)5-8-3-2-4-10(7)8/h2-3,5,9H,4H2,1H3 |
| InChIKey | MMBPPLYMXUXJDJ-UHFFFAOYSA-N |
| Molecular Weight | 143.189 g/mol |
| SMILES | C1=CC=2C(C1)=C(C(C2)C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.836262 |