| SpectraBase Compound ID | 4xViWzCmBWr |
|---|---|
| InChI | InChI=1S/C17H19NO4S/c1-14-7-9-16(10-8-14)23(20,21)18-12-11-17(19)22-13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3 |
| InChIKey | PIFHKEGZNRRIPO-UHFFFAOYSA-N |
| Mol Weight | 333.4 g/mol |
| Molecular Formula | C17H19NO4S |
| Exact Mass | 333.103479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IM2BqP8Jpqm |
|---|---|
| Name | .beta.-Alanine, N-p-toluenesulfonyl-, benzyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.103479266 u |
| Formula | C17H19NO4S |
| InChI | InChI=1S/C17H19NO4S/c1-14-7-9-16(10-8-14)23(20,21)18-12-11-17(19)22-13-15-5-3-2-4-6-15/h2-10,18H,11-13H2,1H3 |
| InChIKey | PIFHKEGZNRRIPO-UHFFFAOYSA-N |
| Molecular Weight | 333.402 g/mol |
| SMILES | C1=C(C=CC(=C1)C)S(NCCC(=O)OCC1=CC=CC=C1)(=O)=O |