| SpectraBase Compound ID | 4ysAlhK2kpR |
|---|---|
| InChI | InChI=1S/C18H15FO4/c1-12(2)10-17(20)22-13-6-5-7-14(11-13)23-18(21)15-8-3-4-9-16(15)19/h3-11H,1-2H3 |
| InChIKey | SKXHPRYTPNFYJR-UHFFFAOYSA-N |
| Mol Weight | 314.31 g/mol |
| Molecular Formula | C18H15FO4 |
| Exact Mass | 314.095437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7OMU67U7qR |
|---|---|
| Name | 1,3-Benzenediol, o-(3-methylbut-2-enoyl)-o'-(2-fluorobenzoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.095437122 u |
| Formula | C18H15FO4 |
| InChI | InChI=1S/C18H15FO4/c1-12(2)10-17(20)22-13-6-5-7-14(11-13)23-18(21)15-8-3-4-9-16(15)19/h3-11H,1-2H3 |
| InChIKey | SKXHPRYTPNFYJR-UHFFFAOYSA-N |
| Molecular Weight | 314.312 g/mol |
| SMILES | C1=C(C=CC=C1OC(=O)C=C(C)C)OC(=O)C1=CC=CC=C1F |