| SpectraBase Compound ID | AnLP56i188B |
|---|---|
| InChI | InChI=1S/C16H18N2O6S/c1-18(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)17-12(16(21)22)9-15(19)20/h3-8,12,17H,9H2,1-2H3,(H,19,20)(H,21,22) |
| InChIKey | DHOZTIJMCYMTMJ-UHFFFAOYSA-N |
| Mol Weight | 366.39 g/mol |
| Molecular Formula | C16H18N2O6S |
| Exact Mass | 366.088557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FqAEN0cqaeu |
|---|---|
| Name | 5-(Dimethylamino)napthalene-1-sulfonyl-L-aspartic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.088557476 u |
| Formula | C16H18N2O6S |
| InChI | InChI=1S/C16H18N2O6S/c1-18(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)17-12(16(21)22)9-15(19)20/h3-8,12,17H,9H2,1-2H3,(H,19,20)(H,21,22) |
| InChIKey | DHOZTIJMCYMTMJ-UHFFFAOYSA-N |
| Molecular Weight | 366.388 g/mol |
| SMILES | C1=2C(=C(C=CC2)N(C)C)C=CC=C1S(=O)(=O)NC(CC(O)=O)C(=O)O |