| SpectraBase Compound ID | aJ99cMomVw |
|---|---|
| InChI | InChI=1S/C7H14O3S/c1-6(9)11-5-3-7(10)2-4-8/h7-8,10H,2-5H2,1H3 |
| InChIKey | MZCPZVFEQOLZAA-UHFFFAOYSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C7H14O3S |
| Exact Mass | 178.066365 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | C5ZVJ1epgVE |
|---|---|
| Name | THIOACETIC ACID S-(3,5-DIHYDROXY-PENTYL) ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C7H14O3S |
| InChI | InChI=1S/C7H14O3S/c1-6(9)11-5-3-7(10)2-4-8/h7-8,10H,2-5H2,1H3 |
| InChIKey | MZCPZVFEQOLZAA-UHFFFAOYSA-N |
| Molecular Weight | 178.0660 |
| SMILES | OCCC(O)CCSC(=O)C |
| SPLASH | splash10-0006-9100000000-4dff07d3e5b145a7c5c3 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |