![Cyclohexyl 5-[(2-bromophenoxy)methyl]-2-furoate](/api/spectrum/KLqFF0OZ766/structure.png?h=300&w=458 "Cyclohexyl 5-[(2-bromophenoxy)methyl]-2-furoate")
| SpectraBase Compound ID | 6zqWI7MAEFB |
|---|---|
| InChI | InChI=1S/C18H19BrO4/c19-15-8-4-5-9-16(15)21-12-14-10-11-17(22-14)18(20)23-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2 |
| InChIKey | JLFBZGXXNYNDQH-UHFFFAOYSA-N |
| Mol Weight | 379.25 g/mol |
| Molecular Formula | C18H19BrO4 |
| Exact Mass | 378.046672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLqFF0OZ766 |
|---|---|
| Name | Cyclohexyl 5-[(2-bromophenoxy)methyl]-2-furoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.046672088 u |
| Formula | C18H19BrO4 |
| InChI | InChI=1S/C18H19BrO4/c19-15-8-4-5-9-16(15)21-12-14-10-11-17(22-14)18(20)23-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2 |
| InChIKey | JLFBZGXXNYNDQH-UHFFFAOYSA-N |
| Molecular Weight | 379.250 g/mol |
| SMILES | C=1(C(OC2CCCCC2)=O)OC(COC2=C(Br)C=CC=C2)=CC1 |