| SpectraBase Compound ID | 77srn9jU4UL |
|---|---|
| InChI | InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | KHARCSTZAGNHOT-UHFFFAOYSA-N |
| Mol Weight | 216.19 g/mol |
| Molecular Formula | C12H8O4 |
| Exact Mass | 216.042259 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | WkYbXmu7j8 |
|---|---|
| Name | 2,3-Naphthalenedicarboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.042258734 u |
| Formula | C12H8O4 |
| InChI | InChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16) |
| InChIKey | KHARCSTZAGNHOT-UHFFFAOYSA-N |
| Molecular Weight | 216.192 g/mol |
| SMILES | OC(C1=CC=2C=CC=CC2C=C1C(O)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.9735 |