| SpectraBase Compound ID | Jmt5bPZyGPI |
|---|---|
| InChI | InChI=1S/C4H7NO5/c1-10-4(7)3(2-6)5(8)9/h3,6H,2H2,1H3 |
| InChIKey | UBGAJCDTBPQUDM-UHFFFAOYSA-N |
| Mol Weight | 149.1 g/mol |
| Molecular Formula | C4H7NO5 |
| Exact Mass | 149.032422 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hj5FU164cJS |
|---|---|
| Name | o.beta.-Nitro-3-hydroxypropionic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.032422324 u |
| Formula | C4H7NO5 |
| InChI | InChI=1S/C4H7NO5/c1-10-4(7)3(2-6)5(8)9/h3,6H,2H2,1H3 |
| InChIKey | UBGAJCDTBPQUDM-UHFFFAOYSA-N |
| SMILES | C(N(=O)=O)(C(=O)OC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965019 |