![Benzene, [(6-bromohexyl)oxy]-](/api/spectrum/CvQ9NiJrIoH/structure.png?h=300&w=458 "Benzene, [(6-bromohexyl)oxy]-")
| SpectraBase Compound ID | I5xTMsID8ct |
|---|---|
| InChI | InChI=1S/C12H17BrO/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2 |
| InChIKey | QOLSAZPSEJXYSH-UHFFFAOYSA-N |
| Mol Weight | 257.17 g/mol |
| Molecular Formula | C12H17BrO |
| Exact Mass | 256.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CvQ9NiJrIoH |
|---|---|
| Name | Benzene, [(6-bromohexyl)oxy]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.046278166 u |
| Formula | C12H17BrO |
| InChI | InChI=1S/C12H17BrO/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,10-11H2 |
| InChIKey | QOLSAZPSEJXYSH-UHFFFAOYSA-N |
| Molecular Weight | 257.171 g/mol |
| SMILES | C1=C(C=CC=C1)OCCCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941074 |