![4-[Dimethyl(2-phenylethyl)ammonio]-1-butanesulfonate](/api/spectrum/5isRMuLhJUd/structure.png?h=300&w=458 "4-[Dimethyl(2-phenylethyl)ammonio]-1-butanesulfonate")
| SpectraBase Compound ID | 5QuNP2OS4vf |
|---|---|
| InChI | InChI=1S/C14H23NO3S/c1-15(2,11-6-7-13-19(16,17)18)12-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3 |
| InChIKey | NSEOHNQZTWRFEE-UHFFFAOYSA-N |
| Mol Weight | 285.4 g/mol |
| Molecular Formula | C14H23NO3S |
| Exact Mass | 285.139865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5isRMuLhJUd |
|---|---|
| Name | 4-[Dimethyl(2-phenylethyl)ammonio]-1-butanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.139864776 u |
| Formula | C14H23NO3S |
| InChI | InChI=1S/C14H23NO3S/c1-15(2,11-6-7-13-19(16,17)18)12-10-14-8-4-3-5-9-14/h3-5,8-9H,6-7,10-13H2,1-2H3 |
| InChIKey | NSEOHNQZTWRFEE-UHFFFAOYSA-N |
| SMILES | C(S([O-])(=O)=O)CCC[N+](CCC=1C=CC=CC1)(C)C |