![2-Methyl-5-[[(4-methoxyphenyl)thio]methyl]tetrahydrofuran](/api/spectrum/IlE3WI8Hzh9/structure.png?h=300&w=458 "2-Methyl-5-[[(4-methoxyphenyl)thio]methyl]tetrahydrofuran")
| SpectraBase Compound ID | 6fg8Z57zLxA |
|---|---|
| InChI | InChI=1S/C13H18O2S/c1-10-3-4-12(15-10)9-16-13-7-5-11(14-2)6-8-13/h5-8,10,12H,3-4,9H2,1-2H3 |
| InChIKey | MZZUPBBMQCRXDP-UHFFFAOYSA-N |
| Mol Weight | 238.34 g/mol |
| Molecular Formula | C13H18O2S |
| Exact Mass | 238.102751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlE3WI8Hzh9 |
|---|---|
| Name | 2-Methyl-5-[[(4-methoxyphenyl)thio]methyl]tetrahydrofuran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.102750992 u |
| Formula | C13H18O2S |
| InChI | InChI=1S/C13H18O2S/c1-10-3-4-12(15-10)9-16-13-7-5-11(14-2)6-8-13/h5-8,10,12H,3-4,9H2,1-2H3 |
| InChIKey | MZZUPBBMQCRXDP-UHFFFAOYSA-N |
| Molecular Weight | 238.345 g/mol |
| SMILES | C1(OC(CC1)C)CSC=1C=CC(=CC1)OC |