| SpectraBase Compound ID | HIWX51gaaIv |
|---|---|
| InChI | InChI=1S/C15H20O4S/c1-3-11-18-14(16)9-6-10-15(17)19-12-7-4-5-8-13(12)20-2/h4-5,7-8H,3,6,9-11H2,1-2H3 |
| InChIKey | OORWFXCQLAZLNX-UHFFFAOYSA-N |
| Mol Weight | 296.38 g/mol |
| Molecular Formula | C15H20O4S |
| Exact Mass | 296.10823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FwEZ35uMOe6 |
|---|---|
| Name | Glutaric acid, 2-(methylthio)phenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.108230294 u |
| Formula | C15H20O4S |
| InChI | InChI=1S/C15H20O4S/c1-3-11-18-14(16)9-6-10-15(17)19-12-7-4-5-8-13(12)20-2/h4-5,7-8H,3,6,9-11H2,1-2H3 |
| InChIKey | OORWFXCQLAZLNX-UHFFFAOYSA-N |
| Molecular Weight | 296.381 g/mol |
| SMILES | C(OC1=C(SC)C=CC=C1)(=O)CCCC(OCCC)=O |