| SpectraBase Compound ID | 3S0vBNjOoXE |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H3/i1D3 |
| InChIKey | CPQDZXPLQXZJGF-FIBGUPNXSA-N |
| Mol Weight | 185.26 g/mol |
| Molecular Formula | C9H72D3O2S |
| Exact Mass | 185.058981 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FyLAPXp2ATq |
|---|---|
| Name | Trideuterio methyl ester of 2-methylmercaptobenzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7D3O2S |
| InChI | InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H3/i1D3 |
| InChIKey | CPQDZXPLQXZJGF-FIBGUPNXSA-N |
| Molecular Weight | 185.255 g/mol |
| SMILES | c1(C(=O)OC([2D])([2D])[2D])c(SC)cccc1 |
| SPLASH | splash10-0uki-3900000000-222d86179895d257136a |
| Source of Spectrum | F-1977-360-0 |
| Wiley ID | 1178115 |