| SpectraBase Compound ID | BGeceFiihw0 |
|---|---|
| InChI | InChI=1S/C15H14OS2/c1-17-15(18-2)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3 |
| InChIKey | KQBGHTWFSLTQJW-UHFFFAOYSA-N |
| Mol Weight | 274.4 g/mol |
| Molecular Formula | C15H14OS2 |
| Exact Mass | 274.048607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JdO87PAFPqF |
|---|---|
| Name | Propenone, 3,3-bis(methylthio)-1-(1-naphthyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.048607418 u |
| Formula | C15H14OS2 |
| InChI | InChI=1S/C15H14OS2/c1-17-15(18-2)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3 |
| InChIKey | KQBGHTWFSLTQJW-UHFFFAOYSA-N |
| Molecular Weight | 274.396 g/mol |
| SMILES | C(C(C1=C2C(C=CC=C2)=CC=C1)=O)=C(SC)SC |