| SpectraBase Compound ID | L3TAbgMsG1n |
|---|---|
| InChI | InChI=1S/C9H15N/c1-9(8-10)6-4-2-3-5-7-9/h2-7H2,1H3 |
| InChIKey | YLEQPKOYISNXLP-UHFFFAOYSA-N |
| Mol Weight | 137.23 g/mol |
| Molecular Formula | C9H15N |
| Exact Mass | 137.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BhYf8Tfe3YG |
|---|---|
| Name | 1-Methyl-1-cycloheptanecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.120449487 u |
| Formula | C9H15N |
| InChI | InChI=1S/C9H15N/c1-9(8-10)6-4-2-3-5-7-9/h2-7H2,1H3 |
| InChIKey | YLEQPKOYISNXLP-UHFFFAOYSA-N |
| Molecular Weight | 137.226 g/mol |
| SMILES | C(#N)C1(C)CCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929207 |