| SpectraBase Compound ID | LVyEsoV76s1 |
|---|---|
| InChI | InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3 |
| InChIKey | WBOXEOCWOCJQNK-UHFFFAOYSA-N |
| Mol Weight | 143.19 g/mol |
| Molecular Formula | C7H13NO2 |
| Exact Mass | 143.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ELQdTBPinMe |
|---|---|
| Name | 3,3-Diethoxypropionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 143.094628661 u |
| Formula | C7H13NO2 |
| InChI | InChI=1S/C7H13NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-5H2,1-2H3 |
| InChIKey | WBOXEOCWOCJQNK-UHFFFAOYSA-N |
| Molecular Weight | 143.186 g/mol |
| SMILES | C(OCC)(CC#N)OCC |
| Spectrum/Structure Validation Score (Raman) | 0.975495 |