| SpectraBase Compound ID | Jb6tgYpLlgQ |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h3-5,7H,1-2H3/t5-,7+/m0/s1 |
| InChIKey | IWQIAQDEJXCERG-CAHLUQPWSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2EVF3JhbAzG |
|---|---|
| Name | (5R,6S)-5-Acetoxy-6-methyl-5,6-dihydro-2H-pyran-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.057908798 u |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h3-5,7H,1-2H3/t5-,7+/m0/s1 |
| InChIKey | IWQIAQDEJXCERG-CAHLUQPWSA-N |
| SMILES | C1(O[C@]([C@@](C=C1)(OC(=O)C)[H])(C)[H])=O |