| SpectraBase Compound ID | 7eBmHfqzKUM |
|---|---|
| InChI | InChI=1S/C15H13FO2S/c1-10-4-3-5-13(15(17)18-2)14(10)19-12-8-6-11(16)7-9-12/h3-9H,1-2H3 |
| InChIKey | XDPFXDHUMWELTE-UHFFFAOYSA-N |
| Mol Weight | 276.33 g/mol |
| Molecular Formula | C15H13FO2S |
| Exact Mass | 276.062029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HievyVrAUTx |
|---|---|
| Name | Methyl 2-(4-fluoro-sulfanyl)-3-methyl-benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H13FO2S |
| InChI | InChI=1S/C15H13FO2S/c1-10-4-3-5-13(15(17)18-2)14(10)19-12-8-6-11(16)7-9-12/h3-9H,1-2H3 |
| InChIKey | XDPFXDHUMWELTE-UHFFFAOYSA-N |
| Molecular Weight | 276.325 g/mol |
| SMILES | c1(c(Sc2ccc(cc2)F)c(C)ccc1)C(=O)OC |
| SPLASH | splash10-004i-0290000000-9eab97e4782292f9df9c |
| Source of Spectrum | F-65-8799-5i |
| Wiley ID | 1679248 |