| SpectraBase Compound ID | 7bTEX5CuxLb |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-7-8(2)11(15-4)9(3)12(16-5)10(7)13(14)17-6/h1-6H3 |
| InChIKey | SVNSVZRYTVNUAH-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdVVvqn4yoc |
|---|---|
| Name | 4,6-Dimethylorsellinic acid, o,o',o''-tris-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-7-8(2)11(15-4)9(3)12(16-5)10(7)13(14)17-6/h1-6H3 |
| InChIKey | SVNSVZRYTVNUAH-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C1(=C(OC)C(=C(OC)C(=C1C)C)C)C(=O)OC |