SpectraBase Compound ID | 4VuBlh2y8vo |
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InChI | InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1 |
InChIKey | QVADRSWDTZDDGR-GSVOUGTGSA-N |
Mol Weight | 130.1 g/mol |
Molecular Formula | C5H6O4 |
Exact Mass | 130.026609 g/mol |
SpectraBase Spectrum ID | LYLUy4jkBBQ |
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Name | (2S)-5-oxo-Tetrahydro-furan-2-carboxylic-acid |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 130.026608669 u |
Formula | C5H6O4 |
InChI | InChI=1S/C5H6O4/c6-4-2-1-3(9-4)5(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1 |
InChIKey | QVADRSWDTZDDGR-GSVOUGTGSA-N |
SMILES | C(O)(=O)[C@]1(CCC(=O)O1)[H] |
Spectrum/Structure Validation Score (Raman) | 0.9678 |