| SpectraBase Compound ID | BghcbK7X5b9 |
|---|---|
| InChI | InChI=1S/C8H15N/c1-3-5-8(4-2)6-7-9/h8H,3-6H2,1-2H3 |
| InChIKey | OQIGRYGTYBHVFI-UHFFFAOYSA-N |
| Mol Weight | 125.21 g/mol |
| Molecular Formula | C8H15N |
| Exact Mass | 125.120449 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8HOclUUbqSs |
|---|---|
| Name | 3-Ethylhexanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 125.120449487 u |
| Formula | C8H15N |
| InChI | InChI=1S/C8H15N/c1-3-5-8(4-2)6-7-9/h8H,3-6H2,1-2H3 |
| InChIKey | OQIGRYGTYBHVFI-UHFFFAOYSA-N |
| Molecular Weight | 125.215 g/mol |
| SMILES | C(#N)CC(CC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975715 |