| SpectraBase Compound ID | 3KZLHsTxhsq |
|---|---|
| InChI | InChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7-9/h2-6H2,1H3 |
| InChIKey | GQFYOUFBNQTCHT-UHFFFAOYSA-N |
| Mol Weight | 155.2 g/mol |
| Molecular Formula | C8H13NO2 |
| Exact Mass | 155.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 627ImmDVRmf |
|---|---|
| Name | Methyl 6-cyanohexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.094628661 u |
| Formula | C8H13NO2 |
| InChI | InChI=1S/C8H13NO2/c1-11-8(10)6-4-2-3-5-7-9/h2-6H2,1H3 |
| InChIKey | GQFYOUFBNQTCHT-UHFFFAOYSA-N |
| Molecular Weight | 155.197 g/mol |
| SMILES | C(#N)CCCCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917138 |