| SpectraBase Compound ID | 4zA0QK5Sb0C |
|---|---|
| InChI | InChI=1S/C17H20O4S/c1-14-8-10-17(11-9-14)22(18,19)21-12-4-6-15-5-3-7-16(13-15)20-2/h3,5,7-11,13H,4,6,12H2,1-2H3 |
| InChIKey | OQJCFOLSEFBDTF-UHFFFAOYSA-N |
| Mol Weight | 320.4 g/mol |
| Molecular Formula | C17H20O4S |
| Exact Mass | 320.10823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H2xLfnm9A8I |
|---|---|
| Name | 3-(3-Methoxyphenyl)propanan-1-ol, tolysulfonate(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.108230294 u |
| Formula | C17H20O4S |
| InChI | InChI=1S/C17H20O4S/c1-14-8-10-17(11-9-14)22(18,19)21-12-4-6-15-5-3-7-16(13-15)20-2/h3,5,7-11,13H,4,6,12H2,1-2H3 |
| InChIKey | OQJCFOLSEFBDTF-UHFFFAOYSA-N |
| Molecular Weight | 320.403 g/mol |
| SMILES | C1=C(C=CC=C1OC)CCCOS(C1=CC=C(C=C1)C)(=O)=O |