![2-({2-oxo-2-[(2-Phenoxyethyl)amino]ethyl}sulfanyl)benzoic acid](/api/spectrum/4CAiJyUJS23/structure.png?h=300&w=458 "2-({2-oxo-2-[(2-Phenoxyethyl)amino]ethyl}sulfanyl)benzoic acid")
| SpectraBase Compound ID | 7ILWTi86rCf |
|---|---|
| InChI | InChI=1S/C17H17NO4S/c19-16(18-10-11-22-13-6-2-1-3-7-13)12-23-15-9-5-4-8-14(15)17(20)21/h1-9H,10-12H2,(H,18,19)(H,20,21) |
| InChIKey | WHQCLWBKMVHUML-UHFFFAOYSA-N |
| Mol Weight | 331.39 g/mol |
| Molecular Formula | C17H17NO4S |
| Exact Mass | 331.087829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4CAiJyUJS23 |
|---|---|
| Name | 2-({2-oxo-2-[(2-Phenoxyethyl)amino]ethyl}sulfanyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.087829201 u |
| Formula | C17H17NO4S |
| InChI | InChI=1S/C17H17NO4S/c19-16(18-10-11-22-13-6-2-1-3-7-13)12-23-15-9-5-4-8-14(15)17(20)21/h1-9H,10-12H2,(H,18,19)(H,20,21) |
| InChIKey | WHQCLWBKMVHUML-UHFFFAOYSA-N |
| SMILES | OC(C=1C(SCC(=O)NCCOC2=CC=CC=C2)=CC=CC1)=O |