| SpectraBase Compound ID | E5dE7UEKOJF |
|---|---|
| InChI | InChI=1S/C11H13NO6S/c13-10(14)7-6-9(11(15)16)12-19(17,18)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16) |
| InChIKey | PJLOGZZDKDUMFU-UHFFFAOYSA-N |
| Mol Weight | 287.29 g/mol |
| Molecular Formula | C11H13NO6S |
| Exact Mass | 287.046358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rnDSOEwFkD |
|---|---|
| Name | (+)-N-benzenesulfonylglutamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.046358311 u |
| Formula | C11H13NO6S |
| InChI | InChI=1S/C11H13NO6S/c13-10(14)7-6-9(11(15)16)12-19(17,18)8-4-2-1-3-5-8/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16) |
| InChIKey | PJLOGZZDKDUMFU-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1)S(=O)(=O)NC(CCC(=O)O)C(=O)O |