| SpectraBase Compound ID | KQQFfNpXgLX |
|---|---|
| InChI | InChI=1S/C14H10O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18) |
| InChIKey | SQJQLYOMPSJVQS-UHFFFAOYSA-N |
| Mol Weight | 306.29 g/mol |
| Molecular Formula | C14H10O6S |
| Exact Mass | 306.019809 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | gNrOJZoHIZ |
|---|---|
| Name | 4,4'-Sulfonyldibenzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.019809210 u |
| Formula | C14H10O6S |
| InChI | InChI=1S/C14H10O6S/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18) |
| InChIKey | SQJQLYOMPSJVQS-UHFFFAOYSA-N |
| SMILES | OC(C1=CC=C(S(C=2C=CC(C(O)=O)=CC2)(=O)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.922371 |