![Benzoic acid, 2-[(2-phenylethyl)thio]-](/api/spectrum/2PZhoIEwLJe/structure.png?h=300&w=458 "Benzoic acid, 2-[(2-phenylethyl)thio]-")
| SpectraBase Compound ID | GeW4sYFyXQJ |
|---|---|
| InChI | InChI=1S/C15H14O2S/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17) |
| InChIKey | BAAPLKBZYLCPNA-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C15H14O2S |
| Exact Mass | 258.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PZhoIEwLJe |
|---|---|
| Name | Benzoic acid, 2-[(2-phenylethyl)thio]-; benzoic acid, o-(phenethylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.071450863 u |
| Formula | C15H14O2S |
| InChI | InChI=1S/C15H14O2S/c16-15(17)13-8-4-5-9-14(13)18-11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17) |
| InChIKey | BAAPLKBZYLCPNA-UHFFFAOYSA-N |
| SMILES | OC(C1=C(C=CC=C1)SCCC1=CC=CC=C1)=O |