| SpectraBase Compound ID | 7cE7YwrWmej |
|---|---|
| InChI | InChI=1S/C8H15NO/c1-2-3-7-10-8-5-4-6-9/h2-5,7-8H2,1H3 |
| InChIKey | LHVKGJJEENJWLC-UHFFFAOYSA-N |
| Mol Weight | 141.21 g/mol |
| Molecular Formula | C8H15NO |
| Exact Mass | 141.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GFEaYOS9Lef |
|---|---|
| Name | 4-Butoxybutanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.115364106 u |
| Formula | C8H15NO |
| InChI | InChI=1S/C8H15NO/c1-2-3-7-10-8-5-4-6-9/h2-5,7-8H2,1H3 |
| InChIKey | LHVKGJJEENJWLC-UHFFFAOYSA-N |
| Molecular Weight | 141.214 g/mol |
| SMILES | C(CCCOCCCC)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971203 |