| SpectraBase Compound ID | 8c2FHSnroKO |
|---|---|
| InChI | InChI=1S/C12H14O6/c13-9-6-8(2-4-12(17)18)10(14)5-7(9)1-3-11(15)16/h5-6,13-14H,1-4H2,(H,15,16)(H,17,18) |
| InChIKey | GYUOSDIYBAGJCN-UHFFFAOYSA-N |
| Mol Weight | 254.24 g/mol |
| Molecular Formula | C12H14O6 |
| Exact Mass | 254.079038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pSvLiYXdlM |
|---|---|
| Name | 2,5-Dihydroxy-p-benzenedipropionic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.079038165 u |
| Formula | C12H14O6 |
| InChI | InChI=1S/C12H14O6/c13-9-6-8(2-4-12(17)18)10(14)5-7(9)1-3-11(15)16/h5-6,13-14H,1-4H2,(H,15,16)(H,17,18) |
| InChIKey | GYUOSDIYBAGJCN-UHFFFAOYSA-N |
| Molecular Weight | 254.238 g/mol |
| SMILES | OC(CCC1=C(C=C(CCC(=O)O)C(=C1)O)O)=O |