| SpectraBase Compound ID | IiednU03vnL |
|---|---|
| InChI | InChI=1S/C16H13ClO5/c1-7-6-10(20-2)12-13(19)11-9(18)5-4-8(17)15(11)22-16(12)14(7)21-3/h4-6,18H,1-3H3 |
| InChIKey | SWHQOGSBEAKAGP-UHFFFAOYSA-N |
| Mol Weight | 320.73 g/mol |
| Molecular Formula | C16H13ClO5 |
| Exact Mass | 320.045151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HRSMNDGCTgt |
|---|---|
| Name | 5-Chloranyl-1,4-dimethoxy-3-methyl-8-oxidanyl-xanthen-9-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.045151214 u |
| Formula | C16H13ClO5 |
| InChI | InChI=1S/C16H13ClO5/c1-7-6-10(20-2)12-13(19)11-9(18)5-4-8(17)15(11)22-16(12)14(7)21-3/h4-6,18H,1-3H3 |
| InChIKey | SWHQOGSBEAKAGP-UHFFFAOYSA-N |
| Molecular Weight | 320.728 g/mol |
| SMILES | C1=2C(C=3C(=CC=C(C3OC2C(OC)=C(C=C1OC)C)Cl)O)=O |