| SpectraBase Compound ID | 2y4k9PBoZFH |
|---|---|
| InChI | InChI=1S/C7H8O4/c1-5(7(10)11)3-2-4-6(8)9/h2-4H,1H3,(H,8,9)(H,10,11)/b4-2+,5-3+ |
| InChIKey | VCPQFDRBOZTBAO-ZUVMSYQZSA-N |
| Mol Weight | 156.14 g/mol |
| Molecular Formula | C7H8O4 |
| Exact Mass | 156.042259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2eKDEOTmnaL |
|---|---|
| Name | 2-Methyl-trans-2,trans-4-hexadienedioic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.042258734 u |
| Formula | C7H8O4 |
| InChI | InChI=1S/C7H8O4/c1-5(7(10)11)3-2-4-6(8)9/h2-4H,1H3,(H,8,9)(H,10,11)/b4-2+,5-3+ |
| InChIKey | VCPQFDRBOZTBAO-ZUVMSYQZSA-N |
| Molecular Weight | 156.137 g/mol |
| SMILES | C(O)(\C(=C\C=C\C(O)=O)C)=O |