![Benzene, [[(2-bromo-1-cyclohexen-1-yl)methoxy]methyl]-](/api/spectrum/3YDDiGTPaZk/structure.png?h=300&w=458 "Benzene, [[(2-bromo-1-cyclohexen-1-yl)methoxy]methyl]-")
| SpectraBase Compound ID | 6DBn6T3Q4Lv |
|---|---|
| InChI | InChI=1S/C14H17BrO/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
| InChIKey | WCBCEMPAOVOJFB-UHFFFAOYSA-N |
| Mol Weight | 281.19 g/mol |
| Molecular Formula | C14H17BrO |
| Exact Mass | 280.046278 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3YDDiGTPaZk |
|---|---|
| Name | Benzene, [[(2-bromo-1-cyclohexen-1-yl)methoxy]methyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.046278166 u |
| Formula | C14H17BrO |
| InChI | InChI=1S/C14H17BrO/c15-14-9-5-4-8-13(14)11-16-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
| InChIKey | WCBCEMPAOVOJFB-UHFFFAOYSA-N |
| SMILES | C1(=C(Br)CCCC1)COCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85795 |