| SpectraBase Compound ID | 82HQ5WNUgJJ |
|---|---|
| InChI | InChI=1S/C17H24O4S/c1-3-4-7-13-20-16(18)11-8-12-17(19)21-14-9-5-6-10-15(14)22-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3 |
| InChIKey | HVLSYGZTLSSMCL-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 | BuwunBH5ARr |
|---|---|
| Name | Glutaric acid, 2-(methylthio)phenyl 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/c1-3-4-7-13-20-16(18)11-8-12-17(19)21-14-9-5-6-10-15(14)22-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3 |
| InChIKey | HVLSYGZTLSSMCL-UHFFFAOYSA-N |
| Molecular Weight | 324.435 g/mol |
| SMILES | C(OC1=C(SC)C=CC=C1)(=O)CCCC(OCCCCC)=O |