| SpectraBase Compound ID | I16GDmQnmGx |
|---|---|
| InChI | InChI=1S/C10H8O5/c11-7(10(12)13)3-6-1-2-8-9(4-6)15-5-14-8/h1-2,4H,3,5H2,(H,12,13) |
| InChIKey | AKMUYFNCIDWIQH-UHFFFAOYSA-N |
| Mol Weight | 208.17 g/mol |
| Molecular Formula | C10H8O5 |
| Exact Mass | 208.037173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BTepL7rmH1y |
|---|---|
| Name | 3,4-Methylenedioxyphenylpyruvic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.037173353 u |
| Formula | C10H8O5 |
| InChI | InChI=1S/C10H8O5/c11-7(10(12)13)3-6-1-2-8-9(4-6)15-5-14-8/h1-2,4H,3,5H2,(H,12,13) |
| InChIKey | AKMUYFNCIDWIQH-UHFFFAOYSA-N |
| Molecular Weight | 208.169 g/mol |
| SMILES | C(=O)(O)C(=O)CC1=CC=C2OCOC2=C1 |