| SpectraBase Compound ID | 3IL2mM6f734 |
|---|---|
| InChI | InChI=1S/C17H20N2O4S/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21) |
| InChIKey | ZHJIWURDCGMVQE-UHFFFAOYSA-N |
| Mol Weight | 348.42 g/mol |
| Molecular Formula | C17H20N2O4S |
| Exact Mass | 348.114378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0AxPXVfdxq |
|---|---|
| Name | Dansyl-L-proline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.114378302 u |
| Formula | C17H20N2O4S |
| InChI | InChI=1S/C17H20N2O4S/c1-18(2)14-8-3-7-13-12(14)6-4-10-16(13)24(22,23)19-11-5-9-15(19)17(20)21/h3-4,6-8,10,15H,5,9,11H2,1-2H3,(H,20,21) |
| InChIKey | ZHJIWURDCGMVQE-UHFFFAOYSA-N |
| Molecular Weight | 348.417 g/mol |
| SMILES | C1=CC2=C(C(=C1)S(N1CCCC1C(O)=O)(=O)=O)C=CC=C2N(C)C |