![6-[(6-Oxidanyl-6-oxidanylidene-hexyl)disulfanyl]hexanoic acid](/api/spectrum/H0zvxwJTVrQ/structure.png?h=300&w=458 "6-[(6-Oxidanyl-6-oxidanylidene-hexyl)disulfanyl]hexanoic acid")
| SpectraBase Compound ID | 3DKWnUjxp7m |
|---|---|
| InChI | InChI=1S/C12H22O4S2/c13-11(14)7-3-1-5-9-17-18-10-6-2-4-8-12(15)16/h1-10H2,(H,13,14)(H,15,16) |
| InChIKey | LUJDBRJEFFQGHD-UHFFFAOYSA-N |
| Mol Weight | 294.42 g/mol |
| Molecular Formula | C12H22O4S2 |
| Exact Mass | 294.095952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0zvxwJTVrQ |
|---|---|
| Name | 6-[(6-Oxidanyl-6-oxidanylidene-hexyl)disulfanyl]hexanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.095951532 u |
| Formula | C12H22O4S2 |
| InChI | InChI=1S/C12H22O4S2/c13-11(14)7-3-1-5-9-17-18-10-6-2-4-8-12(15)16/h1-10H2,(H,13,14)(H,15,16) |
| InChIKey | LUJDBRJEFFQGHD-UHFFFAOYSA-N |
| Molecular Weight | 294.424 g/mol |
| SMILES | C(=O)(O)CCCCCSSCCCCCC(=O)O |