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 |
SpectraBase Spectrum ID | LBKIz4fiWDC |
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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 |