| SpectraBase Compound ID | 3sQ8ZQrsn0T |
|---|---|
| InChI | InChI=1S/C17H21ClO/c1-3-5-7-14-12-16(6-4-2)19-17(14)13-8-10-15(18)11-9-13/h8-12H,3-7H2,1-2H3 |
| InChIKey | ZHJHWGDIAINFTR-UHFFFAOYSA-N |
| Mol Weight | 276.81 g/mol |
| Molecular Formula | C17H21ClO |
| Exact Mass | 276.128093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5IgajMXcLfn |
|---|---|
| Name | 3-Butyl-2-(4-chlorophenyl)-5-propylfuran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.128092995 u |
| Formula | C17H21ClO |
| InChI | InChI=1S/C17H21ClO/c1-3-5-7-14-12-16(6-4-2)19-17(14)13-8-10-15(18)11-9-13/h8-12H,3-7H2,1-2H3 |
| InChIKey | ZHJHWGDIAINFTR-UHFFFAOYSA-N |
| Molecular Weight | 276.807 g/mol |
| SMILES | C1(=C(C=C(O1)CCC)CCCC)C1=CC=C(C=C1)Cl |