| SpectraBase Compound ID | EvNI7Fr3OFS |
|---|---|
| InChI | InChI=1S/C13H9BrClFS/c14-9-4-6-10(7-5-9)17-8-11-12(15)2-1-3-13(11)16/h1-7H,8H2 |
| InChIKey | LACRSDXERPSWKB-UHFFFAOYSA-N |
| Mol Weight | 331.63 g/mol |
| Molecular Formula | C13H9BrClFS |
| Exact Mass | 329.92809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bpv7V1CSpmy |
|---|---|
| Name | 2-(((4-bromophenyl)sulfanyl)methyl)-1-chloro-3-fluorobenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.928090327 u |
| Formula | C13H9BrClFS |
| InChI | InChI=1S/C13H9BrClFS/c14-9-4-6-10(7-5-9)17-8-11-12(15)2-1-3-13(11)16/h1-7H,8H2 |
| InChIKey | LACRSDXERPSWKB-UHFFFAOYSA-N |
| Molecular Weight | 331.630 g/mol |
| SMILES | C1(CSC2=CC=C(C=C2)Br)=C(F)C=CC=C1Cl |