| SpectraBase Compound ID | ALC7Kg6sOR0 |
|---|---|
| InChI | InChI=1S/C15H17BrO/c1-9-7-13-11(8-12(9)16)14(3)5-6-15(4,17-13)10(14)2/h7-8H,2,5-6H2,1,3-4H3 |
| InChIKey | ZGUGMAZHVHIKQT-UHFFFAOYSA-N |
| Mol Weight | 293.2 g/mol |
| Molecular Formula | C15H17BrO |
| Exact Mass | 292.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EaSwqzB59EW |
|---|---|
| Name | 4-Bromo-1,10-epoxylaur-11-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.046278166 u |
| Formula | C15H17BrO |
| InChI | InChI=1S/C15H17BrO/c1-9-7-13-11(8-12(9)16)14(3)5-6-15(4,17-13)10(14)2/h7-8H,2,5-6H2,1,3-4H3 |
| InChIKey | ZGUGMAZHVHIKQT-UHFFFAOYSA-N |
| SMILES | C12(C(C(C)(CC2)OC=2C1=CC(=C(C)C2)Br)=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941699 |