| SpectraBase Compound ID | 5N2dNTqI3to |
|---|---|
| InChI | InChI=1S/C9H18O2S2/c1-2-3-7-12-13-8-5-4-6-9(10)11/h2-8H2,1H3,(H,10,11) |
| InChIKey | JEYNHFOZBIMDDX-UHFFFAOYSA-N |
| Mol Weight | 222.36 g/mol |
| Molecular Formula | C9H18O2S2 |
| Exact Mass | 222.074822 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JXiUdO1FrME |
|---|---|
| Name | 5-(butyldisulfanyl)pentanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H18O2S2 |
| InChI | InChI=1S/C9H18O2S2/c1-2-3-7-12-13-8-5-4-6-9(10)11/h2-8H2,1H3,(H,10,11) |
| InChIKey | JEYNHFOZBIMDDX-UHFFFAOYSA-N |
| Molecular Weight | 222.361 g/mol |
| SMILES | OC(=O)CCCCSSCCCC |
| SPLASH | splash10-0ufr-0920000000-ee8b51181c33ddedf94c |
| Source of Spectrum | KC-0-1514-6 |
| Synonyms | 5-(butyldisulfanyl)valeric acid |
| Wiley ID | 821499 |