| SpectraBase Compound ID | ByS6KlmXSDs |
|---|---|
| InChI | InChI=1S/C17H22N2O4S/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4/h5-11,16,18H,1-4H3,(H,20,21) |
| InChIKey | VULDIKGSZAUMHB-UHFFFAOYSA-N |
| Mol Weight | 350.43 g/mol |
| Molecular Formula | C17H22N2O4S |
| Exact Mass | 350.130028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MiXs3xcpp1 |
|---|---|
| Name | Dansyl-L-valine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.130028366 u |
| Formula | C17H22N2O4S |
| InChI | InChI=1S/C17H22N2O4S/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4/h5-11,16,18H,1-4H3,(H,20,21) |
| InChIKey | VULDIKGSZAUMHB-UHFFFAOYSA-N |
| Molecular Weight | 350.433 g/mol |
| SMILES | CN(C)C1=CC=CC=2C1=CC=CC2S(=O)(=O)N[C@](C(O)=O)(C(C)C)[H] |