![Benzene, 1-[4-bromobutoxy]-4-[1-methylethyl]-](/api/spectrum/8nl5zXPFjyP/structure.png?h=300&w=458 "Benzene, 1-[4-bromobutoxy]-4-[1-methylethyl]-")
| SpectraBase Compound ID | Ds9nJXQkjOv |
|---|---|
| InChI | InChI=1S/C13H19BrO/c1-11(2)12-5-7-13(8-6-12)15-10-4-3-9-14/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey | MSQIRYSOONVRCJ-UHFFFAOYSA-N |
| Mol Weight | 271.2 g/mol |
| Molecular Formula | C13H19BrO |
| Exact Mass | 270.061928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8nl5zXPFjyP |
|---|---|
| Name | Benzene, 1-[4-bromobutoxy]-4-[1-methylethyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.061928231 u |
| Formula | C13H19BrO |
| InChI | InChI=1S/C13H19BrO/c1-11(2)12-5-7-13(8-6-12)15-10-4-3-9-14/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey | MSQIRYSOONVRCJ-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(C)C)OCCCCBr |