| SpectraBase Compound ID | 9zW4Dyyfp56 |
|---|---|
| InChI | InChI=1S/C9H10O3S/c1-12-9(10)7-5-3-4-6-8(7)13(2)11/h3-6H,1-2H3 |
| InChIKey | OAPYIFWRUTZGOY-UHFFFAOYSA-N |
| Mol Weight | 198.24 g/mol |
| Molecular Formula | C9H10O3S |
| Exact Mass | 198.035065 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 52hDs7eTXTr |
|---|---|
| Name | Methyl 2-methylsulfinylbenzoate |
| Alternate Name(s) | 2-Methylsulfinylbenzoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H10O3S |
| InChI | InChI=1S/C9H10O3S/c1-12-9(10)7-5-3-4-6-8(7)13(2)11/h3-6H,1-2H3 |
| InChIKey | OAPYIFWRUTZGOY-UHFFFAOYSA-N |
| Molecular Weight | 198.236 g/mol |
| SMILES | C(c1c(cccc1)S(=O)C)(=O)OC |
| SPLASH | splash10-001i-0900000000-05ef7d3e06ea527e1941 |
| Source of Spectrum | K-2002-2073-4 |
| Wiley ID | 1613050 |