| SpectraBase Compound ID | 2QcogGY8ycQ |
|---|---|
| InChI | InChI=1S/C19H15Cl3O5/c1-5-6(2)9-12(21)14(23)8(4)16-18(9)26-17-10(19(25)27-16)7(3)11(20)15(24)13(17)22/h5,23-24H,1-4H3/b6-5- |
| InChIKey | XEQDVQKKHOQZEP-WAYWQWQTSA-N |
| Mol Weight | 429.68 g/mol |
| Molecular Formula | C19H15Cl3O5 |
| Exact Mass | 427.998507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oLEaKscyUl |
|---|---|
| Name | Nornidulin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 427.998506678 u |
| Formula | C19H15Cl3O5 |
| InChI | InChI=1S/C19H15Cl3O5/c1-5-6(2)9-12(21)14(23)8(4)16-18(9)26-17-10(19(25)27-16)7(3)11(20)15(24)13(17)22/h5,23-24H,1-4H3/b6-5- |
| InChIKey | XEQDVQKKHOQZEP-WAYWQWQTSA-N |
| Molecular Weight | 429.683 g/mol |
| SMILES | C\C(=C\C)C=1C(Cl)=C(O)C(C)=C2C1OC1=C(Cl)C(=C(Cl)C(C)=C1C(=O)O2)O |