| SpectraBase Compound ID | Fyd7zB97kXs |
|---|---|
| InChI | InChI=1S/C23H23N3O4S/c1-26(2)21-11-5-9-18-17(21)8-6-12-22(18)31(29,30)25-20(23(27)28)13-15-14-24-19-10-4-3-7-16(15)19/h3-12,14,20,24-25H,13H2,1-2H3,(H,27,28) |
| InChIKey | XESDLBBWXMRQDN-UHFFFAOYSA-N |
| Mol Weight | 437.51 g/mol |
| Molecular Formula | C23H23N3O4S |
| Exact Mass | 437.140927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IWqjjS1jd9y |
|---|---|
| Name | Dansyl-dl-tryptophane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 437.140927403 u |
| Formula | C23H23N3O4S |
| InChI | InChI=1S/C23H23N3O4S/c1-26(2)21-11-5-9-18-17(21)8-6-12-22(18)31(29,30)25-20(23(27)28)13-15-14-24-19-10-4-3-7-16(15)19/h3-12,14,20,24-25H,13H2,1-2H3,(H,27,28) |
| InChIKey | XESDLBBWXMRQDN-UHFFFAOYSA-N |
| Molecular Weight | 437.514 g/mol |
| SMILES | C1(=CC=CC2=C1C=CC=C2S(=O)(=O)NC(C(=O)O)CC1=CNC2=C1C=CC=C2)N(C)C |