| SpectraBase Compound ID | 9ZJ7rDp3mq |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-5-3-7(12-8(5)10)4-11-6(2)9/h5,7H,3-4H2,1-2H3 |
| InChIKey | KGFGHBFUAYLPAA-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GC9BwF4yGq |
|---|---|
| Name | Threo-pentonic acid, 2,3-dideoxy-2-methyl-, .gamma.-lactone, 5-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-5-3-7(12-8(5)10)4-11-6(2)9/h5,7H,3-4H2,1-2H3 |
| InChIKey | KGFGHBFUAYLPAA-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | C1(OC(COC(=O)C)CC1C)=O |