| SpectraBase Compound ID | Cawf1mEhbV4 |
|---|---|
| InChI | InChI=1S/C16H20N2O4S/c1-4-13(16(19)20)17-23(21,22)15-10-6-7-11-12(15)8-5-9-14(11)18(2)3/h5-10,13,17H,4H2,1-3H3,(H,19,20) |
| InChIKey | WHTSAZUJHJPZOV-UHFFFAOYSA-N |
| Mol Weight | 336.41 g/mol |
| Molecular Formula | C16H20N2O4S |
| Exact Mass | 336.114378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLmFyPsya4K |
|---|---|
| Name | Dansyl-dl-2-aminobutyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.114378302 u |
| Formula | C16H20N2O4S |
| InChI | InChI=1S/C16H20N2O4S/c1-4-13(16(19)20)17-23(21,22)15-10-6-7-11-12(15)8-5-9-14(11)18(2)3/h5-10,13,17H,4H2,1-3H3,(H,19,20) |
| InChIKey | WHTSAZUJHJPZOV-UHFFFAOYSA-N |
| Molecular Weight | 336.406 g/mol |
| SMILES | C1(=CC=CC2=C1C=CC=C2S(=O)(=O)NC(C(=O)O)CC)N(C)C |