| SpectraBase Compound ID | 377yN2fia6X |
|---|---|
| InChI | InChI=1S/C19H26N2O4S/c1-6-13(2)18(19(22)25-5)20-26(23,24)17-12-8-9-14-15(17)10-7-11-16(14)21(3)4/h7-13,18,20H,6H2,1-5H3 |
| InChIKey | JLKLGMANMRUDEF-UHFFFAOYSA-N |
| Mol Weight | 378.49 g/mol |
| Molecular Formula | C19H26N2O4S |
| Exact Mass | 378.161328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7LBQn0Gpkfw |
|---|---|
| Name | N-Dansyl-methylisoleucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.161328495 u |
| Formula | C19H26N2O4S |
| InChI | InChI=1S/C19H26N2O4S/c1-6-13(2)18(19(22)25-5)20-26(23,24)17-12-8-9-14-15(17)10-7-11-16(14)21(3)4/h7-13,18,20H,6H2,1-5H3 |
| InChIKey | JLKLGMANMRUDEF-UHFFFAOYSA-N |
| Molecular Weight | 378.487 g/mol |
| SMILES | C(NS(C1=C2C(C(N(C)C)=CC=C2)=CC=C1)(=O)=O)(C(=O)OC)C(CC)C |