| SpectraBase Compound ID | FGQbb0dsqU9 |
|---|---|
| InChI | InChI=1S/C17H24O4S/c1-3-4-5-13-20-16(18)7-6-8-17(19)21-14-9-11-15(22-2)12-10-14/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | JTLILCJTQQHFQJ-UHFFFAOYSA-N |
| Mol Weight | 324.44 g/mol |
| Molecular Formula | C17H24O4S |
| Exact Mass | 324.13953 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FU5Ee5X6DrT |
|---|---|
| Name | Glutaric acid, 4-(methylthio)benzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.139530423 u |
| Formula | C17H24O4S |
| InChI | InChI=1S/C17H24O4S/c1-3-4-5-13-20-16(18)7-6-8-17(19)21-14-9-11-15(22-2)12-10-14/h9-12H,3-8,13H2,1-2H3 |
| InChIKey | JTLILCJTQQHFQJ-UHFFFAOYSA-N |
| Molecular Weight | 324.435 g/mol |
| SMILES | CSC1=CC=C(OC(=O)CCCC(=O)OCCCCC)C=C1 |