| SpectraBase Compound ID | JsYk8cp93wU |
|---|---|
| InChI | InChI=1S/C9H17N/c1-3-5-6-9(4-2)7-8-10/h9H,3-7H2,1-2H3 |
| InChIKey | SNZMXYKDANOXRV-UHFFFAOYSA-N |
| Mol Weight | 139.24 g/mol |
| Molecular Formula | C9H17N |
| Exact Mass | 139.1361 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KowGTB2JaQ3 |
|---|---|
| Name | 3-Ethylheptanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.136099551 u |
| Formula | C9H17N |
| InChI | InChI=1S/C9H17N/c1-3-5-6-9(4-2)7-8-10/h9H,3-7H2,1-2H3 |
| InChIKey | SNZMXYKDANOXRV-UHFFFAOYSA-N |
| Molecular Weight | 139.242 g/mol |
| SMILES | CCCCC(CC#N)CC |
| Spectrum/Structure Validation Score (Raman) | 0.988511 |