![8-[(8-Oxidanyl-8-oxidanylidene-octyl)disulfanyl]octanoic acid](/api/spectrum/YZCIIceBOd/structure.png?h=300&w=458 "8-[(8-Oxidanyl-8-oxidanylidene-octyl)disulfanyl]octanoic acid")
| SpectraBase Compound ID | K7Ik3JPjjIP |
|---|---|
| InChI | InChI=1S/C16H30O4S2/c17-15(18)11-7-3-1-5-9-13-21-22-14-10-6-2-4-8-12-16(19)20/h1-14H2,(H,17,18)(H,19,20) |
| InChIKey | VMTVUDJOOMHKPO-UHFFFAOYSA-N |
| Mol Weight | 350.53 g/mol |
| Molecular Formula | C16H30O4S2 |
| Exact Mass | 350.158552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | YZCIIceBOd |
|---|---|
| Name | 8-[(8-Oxidanyl-8-oxidanylidene-octyl)disulfanyl]octanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.158551790 u |
| Formula | C16H30O4S2 |
| InChI | InChI=1S/C16H30O4S2/c17-15(18)11-7-3-1-5-9-13-21-22-14-10-6-2-4-8-12-16(19)20/h1-14H2,(H,17,18)(H,19,20) |
| InChIKey | VMTVUDJOOMHKPO-UHFFFAOYSA-N |
| Molecular Weight | 350.532 g/mol |
| Nominal Mass | 350 u |
| SMILES | OC(CCCCCCCSSCCCCCCCC(=O)O)=O |