| SpectraBase Compound ID | 5jKXNI1UcmS |
|---|---|
| InChI | InChI=1S/C15H16S/c1-15(2,13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3 |
| InChIKey | ZOABXTJWWVGXAM-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 | HfMCUJaE8zU |
|---|---|
| Name | Phenyl 2-phenylisopropyl sulfide |
| 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/c1-15(2,13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h3-12H,1-2H3 |
| InChIKey | ZOABXTJWWVGXAM-UHFFFAOYSA-N |
| Molecular Weight | 228.353 g/mol |
| SMILES | C1=CC(C(C)(SC2=CC=CC=C2)C)=CC=C1 |