| SpectraBase Compound ID | FsQqc3HifMZ |
|---|---|
| InChI | InChI=1S/C15H18N2O5S/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20/h3-8,12,16,18H,9H2,1-2H3,(H,19,20) |
| InChIKey | MGWCYXPXWCPETA-UHFFFAOYSA-N |
| Mol Weight | 338.38 g/mol |
| Molecular Formula | C15H18N2O5S |
| Exact Mass | 338.093643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28f2loOSiUh |
|---|---|
| Name | Dansyl-L-serine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.093642857 u |
| Formula | C15H18N2O5S |
| InChI | InChI=1S/C15H18N2O5S/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20/h3-8,12,16,18H,9H2,1-2H3,(H,19,20) |
| InChIKey | MGWCYXPXWCPETA-UHFFFAOYSA-N |
| Molecular Weight | 338.378 g/mol |
| SMILES | C1=2C(=C(C=CC2)N(C)C)C=CC=C1S(=O)(=O)NC(CO)C(=O)O |