| SpectraBase Compound ID | HZRkaVDE4Jh |
|---|---|
| InChI | InChI=1S/C4H7NO4/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3 |
| InChIKey | WFOWWWKKYONWQY-UHFFFAOYSA-N |
| Mol Weight | 133.1 g/mol |
| Molecular Formula | C4H7NO4 |
| Exact Mass | 133.037508 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 25MjZWn7zNf |
|---|---|
| Name | 2-Nitroethanol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 133.037507705 u |
| Formula | C4H7NO4 |
| InChI | InChI=1S/C4H7NO4/c1-4(6)9-3-2-5(7)8/h2-3H2,1H3 |
| InChIKey | WFOWWWKKYONWQY-UHFFFAOYSA-N |
| Molecular Weight | 133.103 g/mol |
| SMILES | C(=O)(C)OCCN(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.950866 |