| SpectraBase Compound ID | C7rtwML0vRJ |
|---|---|
| InChI | InChI=1S/C16H16O5/c1-3-4-11-5-7-13(15(9-11)19-2)20-10-12-6-8-14(21-12)16(17)18/h3,5-9H,1,4,10H2,2H3,(H,17,18) |
| InChIKey | NYGXLNNKIZBLJY-UHFFFAOYSA-N |
| Mol Weight | 288.3 g/mol |
| Molecular Formula | C16H16O5 |
| Exact Mass | 288.099774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 36eCTCtYfHL |
|---|---|
| Name | Furane-2-carboxylic acid, 5-(4-allyl-2-methoxyphenoxymethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.099773610 u |
| Formula | C16H16O5 |
| InChI | InChI=1S/C16H16O5/c1-3-4-11-5-7-13(15(9-11)19-2)20-10-12-6-8-14(21-12)16(17)18/h3,5-9H,1,4,10H2,2H3,(H,17,18) |
| InChIKey | NYGXLNNKIZBLJY-UHFFFAOYSA-N |
| SMILES | C=1(OC(COC2=C(OC)C=C(CC=C)C=C2)=CC1)C(=O)O |