| SpectraBase Compound ID | HnL8mesqIBw |
|---|---|
| InChI | InChI=1S/C9H10OS/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i9+1 |
| InChIKey | XZJPOQGUMFRLEW-QBZHADDCSA-N |
| Mol Weight | 167.23 g/mol |
| Molecular Formula | C813CH10OS |
| Exact Mass | 167.048591 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CwkLYLvRUNJ |
|---|---|
| Name | S-ethyl thiobenzoate-1-c13 |
| CAS Registry Number | 55937-89-8 |
| Comments | Original formula: C8[13C]H10OS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H10OS |
| InChI | InChI=1S/C9H10OS/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i9+1 |
| InChIKey | XZJPOQGUMFRLEW-QBZHADDCSA-N |
| Molecular Weight | 167.230 g/mol |
| SMILES | c1([13C](=O)SCC)ccccc1 |
| SPLASH | splash10-0a4i-4900000000-38a17d09bdd19e5d15a0 |
| Source of Spectrum | O-7-773-3 |
| Wiley ID | 1162138 |