| SpectraBase Compound ID | E5LBF02mm9v |
|---|---|
| InChI | InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)/t18-/m0/s1 |
| InChIKey | GPIOGTIFRDHWSB-SFHVURJKSA-N |
| Mol Weight | 398.48 g/mol |
| Molecular Formula | C21H22N2O4S |
| Exact Mass | 398.130028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7VlH8CSwpci |
|---|---|
| Name | Dansyl-L-phenylalanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.130028366 u |
| Formula | C21H22N2O4S |
| InChI | InChI=1S/C21H22N2O4S/c1-23(2)19-12-6-11-17-16(19)10-7-13-20(17)28(26,27)22-18(21(24)25)14-15-8-4-3-5-9-15/h3-13,18,22H,14H2,1-2H3,(H,24,25)/t18-/m0/s1 |
| InChIKey | GPIOGTIFRDHWSB-SFHVURJKSA-N |
| Molecular Weight | 398.477 g/mol |
| SMILES | C1(=CC=CC=C1)C[C@@](C(O)=O)(NS(C1=CC=CC2=C1C=CC=C2N(C)C)(=O)=O)[H] |