| SpectraBase Compound ID | 4j3tMHePbFc |
|---|---|
| InChI | InChI=1S/C20H20O3/c1-14(2)12-13-22-20(21)18-16-10-6-7-11-17(16)23-19(18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3 |
| InChIKey | QDKZIVPPKJIPEZ-UHFFFAOYSA-N |
| Mol Weight | 308.38 g/mol |
| Molecular Formula | C20H20O3 |
| Exact Mass | 308.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HAXjeJcb3hV |
|---|---|
| Name | Isopentyl 2-phenylbenzofuran-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.141244501 u |
| Formula | C20H20O3 |
| InChI | InChI=1S/C20H20O3/c1-14(2)12-13-22-20(21)18-16-10-6-7-11-17(16)23-19(18)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3 |
| InChIKey | QDKZIVPPKJIPEZ-UHFFFAOYSA-N |
| Molecular Weight | 308.377 g/mol |
| SMILES | C=1(OC2=C(C1C(=O)OCCC(C)C)C=CC=C2)C1=CC=CC=C1 |