| SpectraBase Compound ID | ESlDB8Z0DR1 |
|---|---|
| InChI | InChI=1S/C7H11NO3/c1-6(5-10-2)11-7(9)3-4-8/h6H,3,5H2,1-2H3 |
| InChIKey | JUTDWYGWGYSOSZ-UHFFFAOYSA-N |
| Mol Weight | 157.17 g/mol |
| Molecular Formula | C7H11NO3 |
| Exact Mass | 157.073893 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5jCnghFGYQI |
|---|---|
| Name | 2-Methoxy-1-methylethyl cyanoacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.073893215 u |
| Formula | C7H11NO3 |
| InChI | InChI=1S/C7H11NO3/c1-6(5-10-2)11-7(9)3-4-8/h6H,3,5H2,1-2H3 |
| InChIKey | JUTDWYGWGYSOSZ-UHFFFAOYSA-N |
| Molecular Weight | 157.169 g/mol |
| SMILES | C(#N)CC(=O)OC(COC)C |
| Spectrum/Structure Validation Score (Raman) | 0.778119 |