| SpectraBase Compound ID | 8rnBXi4ggwd |
|---|---|
| InChI | InChI=1S/C17H20N2O6S/c1-19(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)18-13(17(22)23)9-10-16(20)21/h3-8,13,18H,9-10H2,1-2H3,(H,20,21)(H,22,23) |
| InChIKey | OXWKCHDQOLCMPE-UHFFFAOYSA-N |
| Mol Weight | 380.42 g/mol |
| Molecular Formula | C17H20N2O6S |
| Exact Mass | 380.104208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kvMVLxWLce |
|---|---|
| Name | N-(5-Dimethylaminonaphthalenesulfonyl)-dl-glutamic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.104207540 u |
| Formula | C17H20N2O6S |
| InChI | InChI=1S/C17H20N2O6S/c1-19(2)14-7-3-6-12-11(14)5-4-8-15(12)26(24,25)18-13(17(22)23)9-10-16(20)21/h3-8,13,18H,9-10H2,1-2H3,(H,20,21)(H,22,23) |
| InChIKey | OXWKCHDQOLCMPE-UHFFFAOYSA-N |
| Molecular Weight | 380.415 g/mol |
| SMILES | C1(=CC=CC2=C1C=CC=C2S(=O)(=O)NC(C(=O)O)CCC(=O)O)N(C)C |