| SpectraBase Compound ID | LUe7pKzzb4H |
|---|---|
| InChI | InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-15(18(22)23)9-3-4-12-19/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23) |
| InChIKey | MEXPSSDDTCHYIU-UHFFFAOYSA-N |
| Mol Weight | 379.48 g/mol |
| Molecular Formula | C18H25N3O4S |
| Exact Mass | 379.156577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTIbMGyQbe1 |
|---|---|
| Name | Dansyl-L-lysine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.156577467 u |
| Formula | C18H25N3O4S |
| InChI | InChI=1S/C18H25N3O4S/c1-21(2)16-10-5-8-14-13(16)7-6-11-17(14)26(24,25)20-15(18(22)23)9-3-4-12-19/h5-8,10-11,15,20H,3-4,9,12,19H2,1-2H3,(H,22,23) |
| InChIKey | MEXPSSDDTCHYIU-UHFFFAOYSA-N |
| Molecular Weight | 379.475 g/mol |
| SMILES | C1=2C(=C(C=CC2)N(C)C)C=CC=C1S(=O)(=O)NC(CCCCN)C(=O)O |