amino]acetic acid, o-tms](/api/spectrum/CEWA52eIw37/structure.png?h=300&w=458 "[(4-Chlorophenyl)sulfonyl](methyl)amino]acetic acid, o-tms")
| SpectraBase Compound ID | JnkQwxocqnx |
|---|---|
| InChI | InChI=1S/C12H18ClNO4SSi/c1-14(9-12(15)18-20(2,3)4)19(16,17)11-7-5-10(13)6-8-11/h5-8H,9H2,1-4H3 |
| InChIKey | WNAVOYYMFNFJRV-UHFFFAOYSA-N |
| Mol Weight | 335.88 g/mol |
| Molecular Formula | C12H18ClNO4SSi |
| Exact Mass | 335.041433 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CEWA52eIw37 |
|---|---|
| Name | [(4-Chlorophenyl)sulfonyl](methyl)amino]acetic acid, o-tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.041433469 u |
| Formula | C12H18ClNO4SSi |
| InChI | InChI=1S/C12H18ClNO4SSi/c1-14(9-12(15)18-20(2,3)4)19(16,17)11-7-5-10(13)6-8-11/h5-8H,9H2,1-4H3 |
| InChIKey | WNAVOYYMFNFJRV-UHFFFAOYSA-N |
| Molecular Weight | 335.877 g/mol |
| SMILES | C(N(S(=O)(=O)C1=CC=C(C=C1)Cl)C)C(O[Si](C)(C)C)=O |