| SpectraBase Compound ID | tThEQQEkq9 |
|---|---|
| InChI | InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1 |
| InChIKey | DOWWCCDWPKGNGX-RXMQYKEDSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IEhaIX8qNRd |
|---|---|
| Name | Methylester-(2R-3-o-isopropylidene)-glyceric-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.073558862 u |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c1-7(2)10-4-5(11-7)6(8)9-3/h5H,4H2,1-3H3/t5-/m1/s1 |
| InChIKey | DOWWCCDWPKGNGX-RXMQYKEDSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | C(=O)(OC)[C@]1(COC(O1)(C)C)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.983691 |