![Isobutyl-phenyl-sulphoxide;[(1-methylpropyl)-sulfinyl]-benzene](/api/spectrum/291Z8fXS3O7/structure.png?h=300&w=458 "Isobutyl-phenyl-sulphoxide;[(1-methylpropyl)-sulfinyl]-benzene")
| SpectraBase Compound ID | 2IInmsJgX2v |
|---|---|
| InChI | InChI=1S/C10H14OS/c1-9(2)8-12(11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KTZIDKPRZBGZRZ-UHFFFAOYSA-N |
| Mol Weight | 182.28 g/mol |
| Molecular Formula | C10H14OS |
| Exact Mass | 182.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 291Z8fXS3O7 |
|---|---|
| Name | Isobutyl-phenyl-sulphoxide;[(1-methylpropyl)-sulfinyl]-benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.076536244 u |
| Formula | C10H14OS |
| InChI | InChI=1S/C10H14OS/c1-9(2)8-12(11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | KTZIDKPRZBGZRZ-UHFFFAOYSA-N |
| Molecular Weight | 182.281 g/mol |
| SMILES | C(S(=O)C1=CC=CC=C1)C(C)C |