| SpectraBase Compound ID | IWWu5XdzkH3 |
|---|---|
| InChI | InChI=1S/C10H14O5/c1-6(2)10(14-7(3)11)8(13-4)5-9(12)15-10/h5-6H,1-4H3 |
| InChIKey | RGKUMVYRFDNGNB-UHFFFAOYSA-N |
| Mol Weight | 214.22 g/mol |
| Molecular Formula | C10H14O5 |
| Exact Mass | 214.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfC6vz20m1W |
|---|---|
| Name | 5,6-Dihydropenicillic acid, ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.084123546 u |
| Formula | C10H14O5 |
| InChI | InChI=1S/C10H14O5/c1-6(2)10(14-7(3)11)8(13-4)5-9(12)15-10/h5-6H,1-4H3 |
| InChIKey | RGKUMVYRFDNGNB-UHFFFAOYSA-N |
| Molecular Weight | 214.217 g/mol |
| SMILES | CC(=O)OC1(C(C)C)OC(=O)C=C1OC |