| SpectraBase Compound ID | 4qiw2BiJFkc |
|---|---|
| InChI | InChI=1S/C6H11NO/c1-6(2,3)8-5-4-7/h5H2,1-3H3 |
| InChIKey | OQZSWZJDAMTZRM-UHFFFAOYSA-N |
| Mol Weight | 113.16 g/mol |
| Molecular Formula | C6H11NO |
| Exact Mass | 113.084064 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3SUJ3tVfsh0 |
|---|---|
| Name | Tert-butoxyacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.084063977 u |
| Formula | C6H11NO |
| InChI | InChI=1S/C6H11NO/c1-6(2,3)8-5-4-7/h5H2,1-3H3 |
| InChIKey | OQZSWZJDAMTZRM-UHFFFAOYSA-N |
| Molecular Weight | 113.160 g/mol |
| SMILES | CC(OCC#N)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.990794 |