SpectraBase Compound ID | 7IlhrOS4cSw |
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InChI | InChI=1S/C5H7FO4/c1-2-10-5(9)3(6)4(7)8/h3H,2H2,1H3,(H,7,8) |
InChIKey | MBHUWFBTQONAMA-UHFFFAOYSA-N |
Mol Weight | 150.11 g/mol |
Molecular Formula | C5H7FO4 |
Exact Mass | 150.032837 g/mol |
SpectraBase Spectrum ID | 1shp65E8473 |
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Name | 3-Ethoxy-2-fluoranyl-3-oxidanylidene-propanoic acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 150.032836864 u |
Formula | C5H7FO4 |
InChI | InChI=1S/C5H7FO4/c1-2-10-5(9)3(6)4(7)8/h3H,2H2,1H3,(H,7,8) |
InChIKey | MBHUWFBTQONAMA-UHFFFAOYSA-N |
Molecular Weight | 150.105 g/mol |
SMILES | C(C(C(=O)OCC)F)(=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.991562 |