| SpectraBase Compound ID | 6mc3tMciZiD |
|---|---|
| InChI | InChI=1S/C15H18N2O4S/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3/h4-10,16H,1-3H3,(H,18,19) |
| InChIKey | JCIYZTBXUJCAMW-UHFFFAOYSA-N |
| Mol Weight | 322.38 g/mol |
| Molecular Formula | C15H18N2O4S |
| Exact Mass | 322.098728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ph80LPJMCc |
|---|---|
| Name | Dansyl alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.098728238 u |
| Formula | C15H18N2O4S |
| InChI | InChI=1S/C15H18N2O4S/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3/h4-10,16H,1-3H3,(H,18,19) |
| InChIKey | JCIYZTBXUJCAMW-UHFFFAOYSA-N |
| Molecular Weight | 322.379 g/mol |
| SMILES | C1(=CC=CC2=C1C=CC=C2S(=O)(=O)NC(C(=O)O)C)N(C)C |