| SpectraBase Compound ID | 4ndaeQanGm3 |
|---|---|
| InChI | InChI=1S/C14H21BrO2S/c1-2-3-4-5-6-7-12-17-18(16)14-10-8-13(15)9-11-14/h8-11H,2-7,12H2,1H3 |
| InChIKey | OGANLLKJSUZVFB-UHFFFAOYSA-N |
| Mol Weight | 333.28 g/mol |
| Molecular Formula | C14H21BrO2S |
| Exact Mass | 332.044564 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IMQEiSxRMmO |
|---|---|
| Name | Octyl 4-bromobenzenesulfinate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H21BrO2S |
| InChI | InChI=1S/C14H21BrO2S/c1-2-3-4-5-6-7-12-17-18(16)14-10-8-13(15)9-11-14/h8-11H,2-7,12H2,1H3 |
| InChIKey | OGANLLKJSUZVFB-UHFFFAOYSA-N |
| Molecular Weight | 333.284 g/mol |
| SMILES | c1([S@@](=O)OCCCCCCCC)ccc(cc1)Br |
| SPLASH | splash10-0abc-9013000000-0574c9e642c1301cd423 |
| Source of Spectrum | QC-6-1946-3 |
| Wiley ID | 869044 |