| SpectraBase Compound ID | 6lffsFFAd4u |
|---|---|
| InChI | InChI=1S/C10H13BrS/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3 |
| InChIKey | FUMIFSXSEJHAKK-UHFFFAOYSA-N |
| Mol Weight | 245.18 g/mol |
| Molecular Formula | C10H13BrS |
| Exact Mass | 243.992135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DwScLECXEDr |
|---|---|
| Name | 2-(S-Isopropylthiomethyl)-1-bromobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.992134593 u |
| Formula | C10H13BrS |
| InChI | InChI=1S/C10H13BrS/c1-8(2)12-7-9-5-3-4-6-10(9)11/h3-6,8H,7H2,1-2H3 |
| InChIKey | FUMIFSXSEJHAKK-UHFFFAOYSA-N |
| Molecular Weight | 245.178 g/mol |
| SMILES | C(SCC1=C(C=CC=C1)Br)(C)C |