| SpectraBase Compound ID | HUVb7eX3F2 |
|---|---|
| InChI | InChI=1S/C8H8O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H,(H,9,10)(H,11,12)/b2-1+,5-3+,6-4+ |
| InChIKey | NCJYJGFRLFKGBH-CRQXNEITSA-N |
| Mol Weight | 168.15 g/mol |
| Molecular Formula | C8H8O4 |
| Exact Mass | 168.042259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26yZBMff27w |
|---|---|
| Name | (2E,4E,6E)-Octa-2,4,6-trienedioic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.042258734 u |
| Formula | C8H8O4 |
| InChI | InChI=1S/C8H8O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H,(H,9,10)(H,11,12)/b2-1+,5-3+,6-4+ |
| InChIKey | NCJYJGFRLFKGBH-CRQXNEITSA-N |
| Molecular Weight | 168.148 g/mol |
| SMILES | C(\C=C\C=C\C=C\C(=O)O)(=O)O |