| SpectraBase Compound ID | IDruv6yIwoX |
|---|---|
| InChI | InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2 |
| InChIKey | HVJWSZOEEIYKSS-UHFFFAOYSA-N |
| Mol Weight | 220.19 g/mol |
| Molecular Formula | C7H8O6S |
| Exact Mass | 220.004159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | IayA9IGaGTH |
|---|---|
| Name | 2-Sulfobenzoic acid hydrate |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 245224 |
| CAS Registry Number | 123333-68-6 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H8O6S |
| InChI | InChI=1S/C7H6O5S.H2O/c8-7(9)5-3-1-2-4-6(5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);1H2 |
| InChIKey | HVJWSZOEEIYKSS-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Solvent | CDCl3 & DMSO-d6 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_13CNMR_004073 |