| SpectraBase Compound ID | Ke3a40QDaQe |
|---|---|
| InChI | InChI=1S/C19H16Cl2O5/c1-5-7(2)12-15(21)16(23)9(4)17-18(12)25-11-6-10(22)14(20)8(3)13(11)19(24)26-17/h5-6,22-23H,1-4H3/b7-5- |
| InChIKey | FCMYLROGVKJIDN-ALCCZGGFSA-N |
| Mol Weight | 395.24 g/mol |
| Molecular Formula | C19H16Cl2O5 |
| Exact Mass | 394.037479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLglzETozpd |
|---|---|
| Name | Deschloronornidulin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.037479010 u |
| Formula | C19H16Cl2O5 |
| InChI | InChI=1S/C19H16Cl2O5/c1-5-7(2)12-15(21)16(23)9(4)17-18(12)25-11-6-10(22)14(20)8(3)13(11)19(24)26-17/h5-6,22-23H,1-4H3/b7-5- |
| InChIKey | FCMYLROGVKJIDN-ALCCZGGFSA-N |
| Molecular Weight | 395.238 g/mol |
| SMILES | C1(=C(C=C2OC3=C(C(=C(C(=C3OC(C2=C1C)=O)C)O)Cl)\C(=C/C)C)O)Cl |