| SpectraBase Compound ID | xFolmcI20f |
|---|---|
| InChI | InChI=1S/C7H13NO2/c1-7(6-9-2)10-5-3-4-8/h7H,3,5-6H2,1-2H3 |
| InChIKey | PRECESOKWXFYFT-UHFFFAOYSA-N |
| Mol Weight | 143.19 g/mol |
| Molecular Formula | C7H13NO2 |
| Exact Mass | 143.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1JNjYvUGEcz |
|---|---|
| Name | Propanenitrile, 3-(2-methoxy-1-methylethoxy)- |
| 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/c1-7(6-9-2)10-5-3-4-8/h7H,3,5-6H2,1-2H3 |
| InChIKey | PRECESOKWXFYFT-UHFFFAOYSA-N |
| Molecular Weight | 143.186 g/mol |
| SMILES | COCC(OCCC#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986853 |