| SpectraBase Compound ID | BFpXNe6pUWQ |
|---|---|
| InChI | InChI=1S/C9H10O2S/c10-9(7-12)11-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2/i6D2 |
| InChIKey | XTCXSNIRIUQZLY-NCYHJHSESA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H82D2O2S |
| Exact Mass | 184.052704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1NxovQqpxsO |
|---|---|
| Name | Benzyl-.alpha.,.alpha.-D2 2-mercaptoacetate |
| CAS Registry Number | 54644-16-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8D2O2S |
| InChI | InChI=1S/C9H10O2S/c10-9(7-12)11-6-8-4-2-1-3-5-8/h1-5,12H,6-7H2/i6D2 |
| InChIKey | XTCXSNIRIUQZLY-NCYHJHSESA-N |
| Molecular Weight | 184.249 g/mol |
| SMILES | SCC(=O)OC(c1ccccc1)([2D])[2D] |
| SPLASH | splash10-0006-9000000000-b3f010f66f887cdac642 |
| Source of Spectrum | T-68-1477-0 |
| Wiley ID | 18592 |