SpectraBase Compound ID | FojgLEyM8dV |
---|---|
InChI | InChI=1S/C4H8O3/c5-4-1-6-3-7-2-4/h4-5H,1-3H2 |
InChIKey | VCKSNYNNVSOWEE-UHFFFAOYSA-N |
Mol Weight | 104.1 g/mol |
Molecular Formula | C4H8O3 |
Exact Mass | 104.047344 g/mol |
SpectraBase Spectrum ID | LuwzHUhwUKz |
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Name | Glycerol formal (mixture of alpha & beta isomers) |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 104.047344115 u |
Formula | C4H8O3 |
InChI | InChI=1S/C4H8O3/c5-4-1-6-3-7-2-4/h4-5H,1-3H2 |
InChIKey | VCKSNYNNVSOWEE-UHFFFAOYSA-N |
Molecular Weight | 104.105 g/mol |
SMILES | OC1COCOC1 |
Spectrum/Structure Validation Score (Raman) | 0.73094 |