| SpectraBase Compound ID | HhXmnygu1Fl |
|---|---|
| InChI | InChI=1S/C14H14O5/c1-17-10-5-3-9(4-6-10)12-7-11(19-14(12)16)8-13(15)18-2/h3-7,11H,8H2,1-2H3 |
| InChIKey | KDEAFSPRCHTYAK-UHFFFAOYSA-N |
| Mol Weight | 262.26 g/mol |
| Molecular Formula | C14H14O5 |
| Exact Mass | 262.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2Kbl1Ne8UT |
|---|---|
| Name | 2-Furanacetic acid, 2,5-dihydro-4-(4-methoxyphenyl)-5-oxo-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.084123546 u |
| Formula | C14H14O5 |
| InChI | InChI=1S/C14H14O5/c1-17-10-5-3-9(4-6-10)12-7-11(19-14(12)16)8-13(15)18-2/h3-7,11H,8H2,1-2H3 |
| InChIKey | KDEAFSPRCHTYAK-UHFFFAOYSA-N |
| Molecular Weight | 262.261 g/mol |
| SMILES | C1(C(=CC(O1)CC(=O)OC)C=1C=CC(=CC1)OC)=O |