| SpectraBase Compound ID | 5cjT7d5Y00g |
|---|---|
| InChI | InChI=1S/C9H10O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3/i1D3 |
| InChIKey | UQGNSVPCBCFZCE-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 | Ib3Adg1fHaG |
|---|---|
| Name | Trideuterio methyl ester of 4-methylmercaptobenzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7D3O2S |
| InChI | InChI=1S/C9H10O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3/i1D3 |
| InChIKey | UQGNSVPCBCFZCE-FIBGUPNXSA-N |
| Molecular Weight | 185.255 g/mol |
| SMILES | C(c1ccc(cc1)SC)(=O)OC([2D])([2D])[2D] |
| SPLASH | splash10-0udr-3900000000-909df5b56f2e7e5c3e1c |
| Source of Spectrum | F-1977-360-0 |
| Wiley ID | 1178117 |