| SpectraBase Compound ID | AG3S6IyMopH |
|---|---|
| InChI | InChI=1S/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16) |
| InChIKey | AAFXQFIGKBLKMC-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C12H10O4 |
| Exact Mass | 218.057909 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9Q5npQgUwjO |
|---|---|
| Name | p-Phenylenediacrylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.057908798 u |
| Formula | C12H10O4 |
| InChI | InChI=1S/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16) |
| InChIKey | AAFXQFIGKBLKMC-UHFFFAOYSA-N |
| Molecular Weight | 218.208 g/mol |
| SMILES | OC(C=CC1=CC=C(C=CC(O)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98028 |