![[1,1'-Biphenyl]-4-propane(dithioic) acid, beta-oxo-](/api/spectrum/CPJBxty1SJA/structure.png?h=300&w=458 "[1,1'-Biphenyl]-4-propane(dithioic) acid, beta-oxo-")
| SpectraBase Compound ID | 9E25Ki6n37H |
|---|---|
| InChI | InChI=1S/C15H12OS2/c16-14(10-15(17)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18) |
| InChIKey | KJSWDKJAXPBDKS-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H12OS2 |
| Exact Mass | 272.032957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CPJBxty1SJA |
|---|---|
| Name | [1,1'-Biphenyl]-4-propane(dithioic) acid, beta-oxo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.032957353 u |
| Formula | C15H12OS2 |
| InChI | InChI=1S/C15H12OS2/c16-14(10-15(17)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18) |
| InChIKey | KJSWDKJAXPBDKS-UHFFFAOYSA-N |
| SMILES | SC(CC(C1=CC=C(C2=CC=CC=C2)C=C1)=O)=S |