| SpectraBase Compound ID | Jkmdxzo0M9E |
|---|---|
| InChI | InChI=1S/C8H17BrS/c1-10-8-6-4-2-3-5-7-9/h2-8H2,1H3 |
| InChIKey | KKEYLVXRRZWHRB-UHFFFAOYSA-N |
| Mol Weight | 225.19 g/mol |
| Molecular Formula | C8H17BrS |
| Exact Mass | 224.023435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0OEaTNBH8n |
|---|---|
| Name | Heptane, 1-bromo-7-(methylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.023434721 u |
| Formula | C8H17BrS |
| InChI | InChI=1S/C8H17BrS/c1-10-8-6-4-2-3-5-7-9/h2-8H2,1H3 |
| InChIKey | KKEYLVXRRZWHRB-UHFFFAOYSA-N |
| Molecular Weight | 225.188 g/mol |
| SMILES | C(SC)CCCCCCBr |