| SpectraBase Compound ID | 8VRcPjxcmHy |
|---|---|
| InChI | InChI=1S/C13H13NO6S/c1-21(19,20)7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18) |
| InChIKey | LHFMZTWTJXSQGK-UHFFFAOYSA-N |
| Mol Weight | 311.31 g/mol |
| Molecular Formula | C13H13NO6S |
| Exact Mass | 311.046358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9hwzcUNR7ms |
|---|---|
| Name | 4-(Methylsulfonyl)-2-phthalimidobutyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.046358311 u |
| Formula | C13H13NO6S |
| InChI | InChI=1S/C13H13NO6S/c1-21(19,20)7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18) |
| InChIKey | LHFMZTWTJXSQGK-UHFFFAOYSA-N |
| Molecular Weight | 311.308 g/mol |
| SMILES | C1=CC2=C(C(N(C2=O)C(C(=O)O)CCS(C)(=O)=O)=O)C=C1 |