| SpectraBase Compound ID | 2UBxwUsHbyP |
|---|---|
| InChI | InChI=1S/C13H18OS2/c1-3-4-10-12(14-13(15)16-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey | CSQLJCQWSBEPHT-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C13H18OS2 |
| Exact Mass | 254.079908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58dvuE6SkCX |
|---|---|
| Name | o-1-Phenyl-1-pentyl S-methyl dithiocarbonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.079907547 u |
| Formula | C13H18OS2 |
| InChI | InChI=1S/C13H18OS2/c1-3-4-10-12(14-13(15)16-2)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3 |
| InChIKey | CSQLJCQWSBEPHT-UHFFFAOYSA-N |
| Molecular Weight | 254.406 g/mol |
| SMILES | C(OC(C=1C=CC=CC1)CCCC)(=S)SC |