| SpectraBase Compound ID | GChQ2oZDkQi |
|---|---|
| InChI | InChI=1S/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | OCNPXKLQSGAGKT-UHFFFAOYSA-N |
| Mol Weight | 200.25 g/mol |
| Molecular Formula | C9H12O3S |
| Exact Mass | 200.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdeD2b8VFZW |
|---|---|
| Name | Benzenesulfonic acid, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.050715417 u |
| Formula | C9H12O3S |
| InChI | InChI=1S/C9H12O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey | OCNPXKLQSGAGKT-UHFFFAOYSA-N |
| Molecular Weight | 200.252 g/mol |
| SMILES | C=1C(=CC=CC1)S(=O)(=O)OCCC |