| SpectraBase Compound ID | KAr3CVQWrog |
|---|---|
| InChI | InChI=1S/C10H8O6/c1-16-10(15)5-2-3-6(8(11)12)7(4-5)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChIKey | XXQHICUADUPMPL-UHFFFAOYSA-N |
| Mol Weight | 224.17 g/mol |
| Molecular Formula | C10H8O6 |
| Exact Mass | 224.032088 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7UORGM6H1s |
|---|---|
| Name | 1,2,4-Benznetricarboxylic acid, 4-methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.032087972 u |
| Formula | C10H8O6 |
| InChI | InChI=1S/C10H8O6/c1-16-10(15)5-2-3-6(8(11)12)7(4-5)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14) |
| InChIKey | XXQHICUADUPMPL-UHFFFAOYSA-N |
| Molecular Weight | 224.168 g/mol |
| SMILES | C1(=CC(C(O)=O)=C(C=C1)C(=O)O)C(=O)OC |