| SpectraBase Compound ID | A1E2VjDRcrb |
|---|---|
| InChI | InChI=1S/C12H16N2O5S/c1-8-2-4-9(5-3-8)20(18,19)14-10(12(13)17)6-7-11(15)16/h2-5,10,14H,6-7H2,1H3,(H2,13,17)(H,15,16) |
| InChIKey | BJDDHNUUCKZQSC-UHFFFAOYSA-N |
| Mol Weight | 300.33 g/mol |
| Molecular Formula | C12H16N2O5S |
| Exact Mass | 300.077993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GS6YmUePf2x |
|---|---|
| Name | L-4-(p-Tolylsulfonamido)glutaramic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.077992792 u |
| Formula | C12H16N2O5S |
| InChI | InChI=1S/C12H16N2O5S/c1-8-2-4-9(5-3-8)20(18,19)14-10(12(13)17)6-7-11(15)16/h2-5,10,14H,6-7H2,1H3,(H2,13,17)(H,15,16) |
| InChIKey | BJDDHNUUCKZQSC-UHFFFAOYSA-N |
| SMILES | N(S(C1=CC=C(C=C1)C)(=O)=O)C(CCC(=O)O)C(N)=O |