![5-[(4-Chloro-2-isopropyl-5-methylphenoxy)methyl]-2-furoic acid](/api/spectrum/6qyyGC9MFep/structure.png?h=300&w=458 "5-[(4-Chloro-2-isopropyl-5-methylphenoxy)methyl]-2-furoic acid")
| SpectraBase Compound ID | 2jY5PntXDzT |
|---|---|
| InChI | InChI=1S/C16H17ClO4/c1-9(2)12-7-13(17)10(3)6-15(12)20-8-11-4-5-14(21-11)16(18)19/h4-7,9H,8H2,1-3H3,(H,18,19) |
| InChIKey | ANUQQNCJSGEAFZ-UHFFFAOYSA-N |
| Mol Weight | 308.76 g/mol |
| Molecular Formula | C16H17ClO4 |
| Exact Mass | 308.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qyyGC9MFep |
|---|---|
| Name | 5-[(4-Chloro-2-isopropyl-5-methylphenoxy)methyl]-2-furoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.081536723 u |
| Formula | C16H17ClO4 |
| InChI | InChI=1S/C16H17ClO4/c1-9(2)12-7-13(17)10(3)6-15(12)20-8-11-4-5-14(21-11)16(18)19/h4-7,9H,8H2,1-3H3,(H,18,19) |
| InChIKey | ANUQQNCJSGEAFZ-UHFFFAOYSA-N |
| SMILES | OC(C=1OC(COC=2C(=CC(=C(C2)C)Cl)C(C)C)=CC1)=O |