![1,3-Dithiane, 2-[1-(4-methylphenyl)ethyl]-, (.+-.)-](/api/spectrum/IBziwwfMZqz/structure.png?h=300&w=458 "1,3-Dithiane, 2-[1-(4-methylphenyl)ethyl]-, (.+-.)-")
| SpectraBase Compound ID | HrUsN8LYry4 |
|---|---|
| InChI | InChI=1S/C13H18S2/c1-10-4-6-12(7-5-10)11(2)13-14-8-3-9-15-13/h4-7,11,13H,3,8-9H2,1-2H3 |
| InChIKey | PEGQFJZYWWXWJR-UHFFFAOYSA-N |
| Mol Weight | 238.41 g/mol |
| Molecular Formula | C13H18S2 |
| Exact Mass | 238.084993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBziwwfMZqz |
|---|---|
| Name | 1,3-DITHIANE, 2-[1-(4-METHYLPHENYL)ETHYL]- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H18S2 |
| InChI | InChI=1S/C13H18S2/c1-10-4-6-12(7-5-10)11(2)13-14-8-3-9-15-13/h4-7,11,13H,3,8-9H2,1-2H3 |
| InChIKey | PEGQFJZYWWXWJR-UHFFFAOYSA-N |
| Instrument Name | VARIAN CFT-20 |
| NMR Standard | TMS |
| Solvent | CDCL3 |