| SpectraBase Compound ID | DUbp3RHjbeB |
|---|---|
| InChI | InChI=1S/C10H14S/c1-3-8-11-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3 |
| InChIKey | OAKIXGDEEBCTQM-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 | 6f4oaGO11FR |
|---|---|
| Name | Benzene, 1-methyl-2-(propylthio)- |
| 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/c1-3-8-11-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3 |
| InChIKey | OAKIXGDEEBCTQM-UHFFFAOYSA-N |
| Molecular Weight | 166.282 g/mol |
| SMILES | C(SC1=C(C)C=CC=C1)CC |