| SpectraBase Compound ID | GnTgC3dnOch |
|---|---|
| InChI | InChI=1S/C19H17ClO5/c1-5-8(2)11-6-12(21)9(3)17-18(11)24-14-7-13(22)16(20)10(4)15(14)19(23)25-17/h5-7,21-22H,1-4H3/b8-5- |
| InChIKey | KZPINWADEGOBQG-YVMONPNESA-N |
| Mol Weight | 360.79 g/mol |
| Molecular Formula | C19H17ClO5 |
| Exact Mass | 360.076451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FPIlQukpfWY |
|---|---|
| Name | 2-Chlorounguinol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.076451342 u |
| Formula | C19H17ClO5 |
| InChI | InChI=1S/C19H17ClO5/c1-5-8(2)11-6-12(21)9(3)17-18(11)24-14-7-13(22)16(20)10(4)15(14)19(23)25-17/h5-7,21-22H,1-4H3/b8-5- |
| InChIKey | KZPINWADEGOBQG-YVMONPNESA-N |
| Molecular Weight | 360.793 g/mol |
| SMILES | C1(=C(C=C2OC3=C(C=C(C(=C3OC(C2=C1C)=O)C)O)\C(=C/C)C)O)Cl |