| SpectraBase Compound ID | Ba5C45GHKob |
|---|---|
| InChI | InChI=1S/C15H18N2O4S/c1-17(2)13-8-4-7-12-11(13)6-5-9-14(12)22(19,20)16-10-15(18)21-3/h4-9,16H,10H2,1-3H3 |
| InChIKey | NUMACPROTUKWFM-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 | 76V1CYcZuYf |
|---|---|
| Name | N-Dansyl-methylglycine |
| 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/c1-17(2)13-8-4-7-12-11(13)6-5-9-14(12)22(19,20)16-10-15(18)21-3/h4-9,16H,10H2,1-3H3 |
| InChIKey | NUMACPROTUKWFM-UHFFFAOYSA-N |
| Molecular Weight | 322.379 g/mol |
| SMILES | C1(S(NCC(=O)OC)(=O)=O)=C2C(C(N(C)C)=CC=C2)=CC=C1 |