| SpectraBase Compound ID | 7Gnl06FwxIk |
|---|---|
| InChI | InChI=1S/C11H15BrS/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | XVMXDMPDHXQXJB-UHFFFAOYSA-N |
| Mol Weight | 259.2 g/mol |
| Molecular Formula | C11H15BrS |
| Exact Mass | 258.007785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbtamUwpoqt |
|---|---|
| Name | 1-Bromo-4-isopentylthiobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.007784657 u |
| Formula | C11H15BrS |
| InChI | InChI=1S/C11H15BrS/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | XVMXDMPDHXQXJB-UHFFFAOYSA-N |
| SMILES | C(SC1=CC=C(C=C1)Br)CC(C)C |