| SpectraBase Compound ID | B1dvBhWdJDE |
|---|---|
| InChI | InChI=1S/C17H22N2O4S2/c1-19(2)15-8-4-7-13-12(15)6-5-9-16(13)25(22,23)18-14(17(20)21)10-11-24-3/h4-9,14,18H,10-11H2,1-3H3,(H,20,21) |
| InChIKey | ADWOYRHKFIZWFB-UHFFFAOYSA-N |
| Mol Weight | 382.49 g/mol |
| Molecular Formula | C17H22N2O4S2 |
| Exact Mass | 382.1021 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2lm7c7kCDyU |
|---|---|
| Name | Dansyl-dl-methionine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.102099540 u |
| Formula | C17H22N2O4S2 |
| InChI | InChI=1S/C17H22N2O4S2/c1-19(2)15-8-4-7-13-12(15)6-5-9-16(13)25(22,23)18-14(17(20)21)10-11-24-3/h4-9,14,18H,10-11H2,1-3H3,(H,20,21) |
| InChIKey | ADWOYRHKFIZWFB-UHFFFAOYSA-N |
| Molecular Weight | 382.493 g/mol |
| SMILES | C1(=CC=CC2=C1C=CC=C2S(=O)(=O)NC(C(=O)O)CCSC)N(C)C |