| SpectraBase Compound ID | 5qEGBH3TDwr |
|---|---|
| InChI | InChI=1S/C16H16O2S/c1-11-9-10-12(2)15(14(11)16(17)18-3)19-13-7-5-4-6-8-13/h4-10H,1-3H3 |
| InChIKey | PYDJHXBQJFNUSJ-UHFFFAOYSA-N |
| Mol Weight | 272.36 g/mol |
| Molecular Formula | C16H16O2S |
| Exact Mass | 272.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LBKIz4fiWDC |
|---|---|
| Name | Methyl 3,6-dimethyl-2-(phenylsulfanyl)benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H16O2S |
| InChI | InChI=1S/C16H16O2S/c1-11-9-10-12(2)15(14(11)16(17)18-3)19-13-7-5-4-6-8-13/h4-10H,1-3H3 |
| InChIKey | PYDJHXBQJFNUSJ-UHFFFAOYSA-N |
| Molecular Weight | 272.362 g/mol |
| SMILES | c1(c(Sc2ccccc2)c(C)ccc1C)C(=O)OC |
| SPLASH | splash10-00du-0190000000-fe2203b08dc3a1d49f83 |
| Source of Spectrum | F4-41-302-5h |
| Wiley ID | 1671896 |