| SpectraBase Compound ID | 5CsCGteftlV |
|---|---|
| InChI | InChI=1S/C19H20O7/c1-11(20)16-14(23-3)10-15(24-4)17(25-5)18(16)26-19(21)12-8-6-7-9-13(12)22-2/h6-10H,1-5H3 |
| InChIKey | LJBIMYMOUMRUBA-UHFFFAOYSA-N |
| Mol Weight | 360.36 g/mol |
| Molecular Formula | C19H20O7 |
| Exact Mass | 360.120903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hJYCHo7avU |
|---|---|
| Name | 2'-Hydroxy-3',4',6'-trimethoxyacetophenone, o-anisate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.120902977 u |
| Formula | C19H20O7 |
| InChI | InChI=1S/C19H20O7/c1-11(20)16-14(23-3)10-15(24-4)17(25-5)18(16)26-19(21)12-8-6-7-9-13(12)22-2/h6-10H,1-5H3 |
| InChIKey | LJBIMYMOUMRUBA-UHFFFAOYSA-N |
| Molecular Weight | 360.362 g/mol |
| SMILES | C=1C(=C(C(=C(C1OC)OC)OC(C=1C(=CC=CC1)OC)=O)C(=O)C)OC |