| SpectraBase Compound ID | 7AyiiG3NEc2 |
|---|---|
| InChI | InChI=1S/C13H20O3S/c1-9(2)17-8-11-12(15-4)6-10(14-3)7-13(11)16-5/h6-7,9H,8H2,1-5H3 |
| InChIKey | QLTGENOWLCQKFY-UHFFFAOYSA-N |
| Mol Weight | 256.36 g/mol |
| Molecular Formula | C13H20O3S |
| Exact Mass | 256.113316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 84ozbyunJZH |
|---|---|
| Name | 1,3,5-Trimethoxy-2-(propan-2-ylsulfanylmethyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.113315675 u |
| Formula | C13H20O3S |
| InChI | InChI=1S/C13H20O3S/c1-9(2)17-8-11-12(15-4)6-10(14-3)7-13(11)16-5/h6-7,9H,8H2,1-5H3 |
| InChIKey | QLTGENOWLCQKFY-UHFFFAOYSA-N |
| Molecular Weight | 256.360 g/mol |
| SMILES | C=1(C(=CC(=CC1OC)OC)OC)CSC(C)C |