| SpectraBase Compound ID | 4wSFql33Wsp |
|---|---|
| InChI | InChI=1S/C8H13N/c1-8(7-9)5-3-2-4-6-8/h2-6H2,1H3 |
| InChIKey | KYVFVCXSNCUBTI-UHFFFAOYSA-N |
| Mol Weight | 123.2 g/mol |
| Molecular Formula | C8H13N |
| Exact Mass | 123.104799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KYbsjt7SCUX |
|---|---|
| Name | 1-Methylcyclohexane-1-carbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 123.104799423 u |
| Formula | C8H13N |
| InChI | InChI=1S/C8H13N/c1-8(7-9)5-3-2-4-6-8/h2-6H2,1H3 |
| InChIKey | KYVFVCXSNCUBTI-UHFFFAOYSA-N |
| Molecular Weight | 123.199 g/mol |
| SMILES | C1C(CCCC1)(C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929915 |