| SpectraBase Compound ID | AlvqV66TlrI |
|---|---|
| InChI | InChI=1S/C16H17ClS/c1-13(7-8-14-5-3-2-4-6-14)18-16-11-9-15(17)10-12-16/h2-6,9-13H,7-8H2,1H3/t13-/m1/s1 |
| InChIKey | NATIUKSUURYMAW-CYBMUJFWSA-N |
| Mol Weight | 276.82 g/mol |
| Molecular Formula | C16H17ClS |
| Exact Mass | 276.073949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9duHiLBq3yB |
|---|---|
| Name | 2-(p-Chlorophenylthio)-4-phenybutane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.073949421 u |
| Formula | C16H17ClS |
| InChI | InChI=1S/C16H17ClS/c1-13(7-8-14-5-3-2-4-6-14)18-16-11-9-15(17)10-12-16/h2-6,9-13H,7-8H2,1H3/t13-/m1/s1 |
| InChIKey | NATIUKSUURYMAW-CYBMUJFWSA-N |
| SMILES | C=1(S[C@@](CCC2=CC=CC=C2)(C)[H])C=CC(=CC1)Cl |