| SpectraBase Compound ID | 2sQuZqsJ8gI |
|---|---|
| InChI | InChI=1S/C12H16Br2/c1-10(14)9-12(7-8-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3 |
| InChIKey | MOHUNOORRNWDCU-UHFFFAOYSA-N |
| Mol Weight | 320.07 g/mol |
| Molecular Formula | C12H16Br2 |
| Exact Mass | 317.961877 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J60j6YNJKeV |
|---|---|
| Name | 1,5-Dibromo-3-phenylhexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.961876515 u |
| Formula | C12H16Br2 |
| InChI | InChI=1S/C12H16Br2/c1-10(14)9-12(7-8-13)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3 |
| InChIKey | MOHUNOORRNWDCU-UHFFFAOYSA-N |
| Molecular Weight | 320.068 g/mol |
| SMILES | C(CC(CC(Br)C)C1=CC=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9304 |