| SpectraBase Compound ID | 50bCZDnvZqF |
|---|---|
| InChI | InChI=1S/C17H12O7/c1-6-3-8-13(15(20)11(6)17(22)23)16(21)12-9(14(8)19)4-7(18)5-10(12)24-2/h3-5,18,20H,1-2H3,(H,22,23) |
| InChIKey | VDSHLGLMZNUPSJ-UHFFFAOYSA-N |
| Mol Weight | 328.28 g/mol |
| Molecular Formula | C17H12O7 |
| Exact Mass | 328.058303 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KX7o4rlGgRv |
|---|---|
| Name | Dermolutein |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.058302719 u |
| Formula | C17H12O7 |
| InChI | InChI=1S/C17H12O7/c1-6-3-8-13(15(20)11(6)17(22)23)16(21)12-9(14(8)19)4-7(18)5-10(12)24-2/h3-5,18,20H,1-2H3,(H,22,23) |
| InChIKey | VDSHLGLMZNUPSJ-UHFFFAOYSA-N |
| Molecular Weight | 328.276 g/mol |
| SMILES | C=12C(C=3C(=CC(=CC3C(C2=CC(=C(C1O)C(=O)O)C)=O)O)OC)=O |