![5-[(3-Chlorophenoxy)methyl]-2-furoic acid](/api/spectrum/En4X8anXnSO/structure.png?h=300&w=458 "5-[(3-Chlorophenoxy)methyl]-2-furoic acid")
| SpectraBase Compound ID | CfSp1uQp2cU |
|---|---|
| InChI | InChI=1S/C12H9ClO4/c13-8-2-1-3-9(6-8)16-7-10-4-5-11(17-10)12(14)15/h1-6H,7H2,(H,14,15) |
| InChIKey | CXZKYGFMZHJUGJ-UHFFFAOYSA-N |
| Mol Weight | 252.65 g/mol |
| Molecular Formula | C12H9ClO4 |
| Exact Mass | 252.018936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | En4X8anXnSO |
|---|---|
| Name | Furane-2-carboxylic acid, 5-(3-chlorophenoxymethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.018936466 u |
| Formula | C12H9ClO4 |
| InChI | InChI=1S/C12H9ClO4/c13-8-2-1-3-9(6-8)16-7-10-4-5-11(17-10)12(14)15/h1-6H,7H2,(H,14,15) |
| InChIKey | CXZKYGFMZHJUGJ-UHFFFAOYSA-N |
| Molecular Weight | 252.653 g/mol |
| SMILES | C=1(OC(COC2=CC=CC(=C2)Cl)=CC1)C(=O)O |