| SpectraBase Compound ID | GTafDTK0RQz |
|---|---|
| InChI | InChI=1S/C12H13NO5S/c14-10(15)7-19-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18) |
| InChIKey | ZNPRRHVZHMGIKB-UHFFFAOYSA-N |
| Mol Weight | 283.3 g/mol |
| Molecular Formula | C12H13NO5S |
| Exact Mass | 283.051444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Va4RGaonlg |
|---|---|
| Name | N-Benzoyl(carboxymethyl)cysteine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.051443692 u |
| Formula | C12H13NO5S |
| InChI | InChI=1S/C12H13NO5S/c14-10(15)7-19-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18) |
| InChIKey | ZNPRRHVZHMGIKB-UHFFFAOYSA-N |
| Molecular Weight | 283.298 g/mol |
| SMILES | OC(CSCC(C(=O)O)NC(=O)C=1C=CC=CC1)=O |