| SpectraBase Compound ID | CKfse4l7DXQ |
|---|---|
| InChI | InChI=1S/C13H17BrOS/c1-12-6-8-13(9-7-12)16(15)11-5-3-2-4-10-14/h5-9,11H,2-4,10H2,1H3/b11-5+ |
| InChIKey | ZHHOODAPHLNNCN-VZUCSPMQSA-N |
| Mol Weight | 301.24 g/mol |
| Molecular Formula | C13H17BrOS |
| Exact Mass | 300.018349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5C4Skzp3A7f |
|---|---|
| Name | (E)-(R)-6-Bromo-1-hexenyl p-tolyl sulfoxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.018349340 u |
| Formula | C13H17BrOS |
| InChI | InChI=1S/C13H17BrOS/c1-12-6-8-13(9-7-12)16(15)11-5-3-2-4-10-14/h5-9,11H,2-4,10H2,1H3/b11-5+ |
| InChIKey | ZHHOODAPHLNNCN-VZUCSPMQSA-N |
| SMILES | C=1([S@@](\C=C\CCCCBr)=O)C=CC(=CC1)C |