![1-Bromo-6-[3-chlorophenyl]hexane](/api/spectrum/Govojs1RHQK/structure.png?h=300&w=458 "1-Bromo-6-[3-chlorophenyl]hexane")
| SpectraBase Compound ID | AbUfhmm5dlP |
|---|---|
| InChI | InChI=1S/C12H16BrCl/c13-9-4-2-1-3-6-11-7-5-8-12(14)10-11/h5,7-8,10H,1-4,6,9H2 |
| InChIKey | OQAPJBNSULDQCH-UHFFFAOYSA-N |
| Mol Weight | 275.62 g/mol |
| Molecular Formula | C12H16BrCl |
| Exact Mass | 274.012391 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Govojs1RHQK |
|---|---|
| Name | 1-Bromo-6-[3-chlorophenyl]hexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.012391215 u |
| Formula | C12H16BrCl |
| InChI | InChI=1S/C12H16BrCl/c13-9-4-2-1-3-6-11-7-5-8-12(14)10-11/h5,7-8,10H,1-4,6,9H2 |
| InChIKey | OQAPJBNSULDQCH-UHFFFAOYSA-N |
| Molecular Weight | 275.617 g/mol |
| SMILES | C1=C(C=CC=C1CCCCCCBr)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941503 |