| SpectraBase Compound ID | LXYXaHAssSr |
|---|---|
| InChI | InChI=1S/C16H16O2S/c1-11-7-9-13(10-8-11)19-15-12(2)5-4-6-14(15)16(17)18-3/h4-10H,1-3H3 |
| InChIKey | JYUATNGXVVGTTK-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 | 41XrtQRjtsu |
|---|---|
| Name | Methyl 3-methyl-2-(4-methyl-phenylsulfanyl)-benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H16O2S |
| InChI | InChI=1S/C16H16O2S/c1-11-7-9-13(10-8-11)19-15-12(2)5-4-6-14(15)16(17)18-3/h4-10H,1-3H3 |
| InChIKey | JYUATNGXVVGTTK-UHFFFAOYSA-N |
| Molecular Weight | 272.362 g/mol |
| SMILES | c1(c(Sc2ccc(C)cc2)c(C)ccc1)C(=O)OC |
| SPLASH | splash10-00b9-0290000000-fc099bd318cdd690b5f2 |
| Source of Spectrum | F-65-8799-5g |
| Wiley ID | 1679250 |