![1-Methyl-2-[(phenylmethylsulfanyl)methyl]benzene](/api/spectrum/KMLi6pefcVb/structure.png?h=300&w=458 "1-Methyl-2-[(phenylmethylsulfanyl)methyl]benzene")
| SpectraBase Compound ID | G3tc0EGYCch |
|---|---|
| InChI | InChI=1S/C15H16S/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3 |
| InChIKey | QDNWCSJKTSBDSK-UHFFFAOYSA-N |
| Mol Weight | 228.35 g/mol |
| Molecular Formula | C15H16S |
| Exact Mass | 228.097272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMLi6pefcVb |
|---|---|
| Name | 1-Methyl-2-[(phenylmethylsulfanyl)methyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.097271689 u |
| Formula | C15H16S |
| InChI | InChI=1S/C15H16S/c1-13-7-5-6-10-15(13)12-16-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3 |
| InChIKey | QDNWCSJKTSBDSK-UHFFFAOYSA-N |
| Molecular Weight | 228.353 g/mol |
| SMILES | C(SCC=1C=CC=CC1)C=1C(=CC=CC1)C |