| SpectraBase Compound ID | DjgZDf4Pgqu |
|---|---|
| InChI | InChI=1S/C10H14S2/c1-9(2)8-11-12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | MRHQIYVBJNSVDN-UHFFFAOYSA-N |
| Mol Weight | 198.34 g/mol |
| Molecular Formula | C10H14S2 |
| Exact Mass | 198.053693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2JgqMbzqkxn |
|---|---|
| Name | 4-Methyl-1-phenyl-1,2-dithiapentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.053692799 u |
| Formula | C10H14S2 |
| InChI | InChI=1S/C10H14S2/c1-9(2)8-11-12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey | MRHQIYVBJNSVDN-UHFFFAOYSA-N |
| Molecular Weight | 198.342 g/mol |
| SMILES | CC(C)CSSC1=CC=CC=C1 |