| SpectraBase Compound ID | GvTjREh4pby |
|---|---|
| InChI | InChI=1S/C14H18Br2O2/c1-11(17)18-14-8-6-12(7-9-14)4-2-3-5-13(16)10-15/h6-9,13H,2-5,10H2,1H3 |
| InChIKey | AQUDCCGRBQLPSP-UHFFFAOYSA-N |
| Mol Weight | 378.1 g/mol |
| Molecular Formula | C14H18Br2O2 |
| Exact Mass | 375.967356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F1MKupVsEFT |
|---|---|
| Name | Phenol, 4-(5,6-dibromohexyl)-, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.967355818 u |
| Formula | C14H18Br2O2 |
| InChI | InChI=1S/C14H18Br2O2/c1-11(17)18-14-8-6-12(7-9-14)4-2-3-5-13(16)10-15/h6-9,13H,2-5,10H2,1H3 |
| InChIKey | AQUDCCGRBQLPSP-UHFFFAOYSA-N |
| Molecular Weight | 378.104 g/mol |
| SMILES | C(OC1=CC=C(C=C1)CCCCC(Br)CBr)(=O)C |