| SpectraBase Compound ID | 9RAvRAd9oyB |
|---|---|
| InChI | InChI=1S/C18H18O8/c1-7-6-11(25-4)13(17(22)23)15(21)12(7)18(24)26-16-8(2)5-10(19)9(3)14(16)20/h5-6,19-21H,1-4H3,(H,22,23) |
| InChIKey | WSTILCLQPLCYEH-UHFFFAOYSA-N |
| Mol Weight | 362.33 g/mol |
| Molecular Formula | C18H18O8 |
| Exact Mass | 362.100168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3o8mMsNqO4Q |
|---|---|
| Name | Decarboxy-hypothamnolic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.100167532 u |
| Formula | C18H18O8 |
| InChI | InChI=1S/C18H18O8/c1-7-6-11(25-4)13(17(22)23)15(21)12(7)18(24)26-16-8(2)5-10(19)9(3)14(16)20/h5-6,19-21H,1-4H3,(H,22,23) |
| InChIKey | WSTILCLQPLCYEH-UHFFFAOYSA-N |
| Molecular Weight | 362.334 g/mol |
| SMILES | C=1(C(OC2=C(C(C)=C(C=C2C)O)O)=O)C(=C(C(OC)=CC1C)C(=O)O)O |