![Benzene, [(2-methylpropyl)thio]-](/api/spectrum/3DkTCTJU8df/structure.png?h=300&w=458 "Benzene, [(2-methylpropyl)thio]-")
| SpectraBase Compound ID | 3hXjwu0aroK |
|---|---|
| InChI | InChI=1S/C10H14S/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | UQRLAGGSKUVKMJ-UHFFFAOYSA-N |
| Mol Weight | 166.28 g/mol |
| Molecular Formula | C10H14S |
| Exact Mass | 166.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DkTCTJU8df |
|---|---|
| Name | Benzene, [(2-methylpropyl)thio]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.081621625 u |
| Formula | C10H14S |
| InChI | InChI=1S/C10H14S/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | UQRLAGGSKUVKMJ-UHFFFAOYSA-N |
| Molecular Weight | 166.282 g/mol |
| SMILES | C(SC1=CC=CC=C1)C(C)C |