| SpectraBase Compound ID | GgsTxomqMry |
|---|---|
| InChI | InChI=1S/C9H13N/c1-7-4-5-9(2,3)8(7)6-10/h4-5H2,1-3H3 |
| InChIKey | KISKVSQBDZEPCO-UHFFFAOYSA-N |
| Mol Weight | 135.21 g/mol |
| Molecular Formula | C9H13N |
| Exact Mass | 135.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CoPTIo972oX |
|---|---|
| Name | 1-Cyclopentene-1-carbonitrile, 2,5,5-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.104799423 u |
| Formula | C9H13N |
| InChI | InChI=1S/C9H13N/c1-7-4-5-9(2,3)8(7)6-10/h4-5H2,1-3H3 |
| InChIKey | KISKVSQBDZEPCO-UHFFFAOYSA-N |
| Molecular Weight | 135.210 g/mol |
| SMILES | C1(=C(CCC1(C)C)C)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926114 |