![7-[(4-fluorobenzyl)oxy]-3,4,8-trimethyl-2H-chromen-2-one](/api/spectrum/KJDC3w6q1PG/structure.png?h=300&w=458 "7-[(4-fluorobenzyl)oxy]-3,4,8-trimethyl-2H-chromen-2-one")
| SpectraBase Compound ID | 6lODz5Z1zpz |
|---|---|
| InChI | InChI=1S/C19H17FO3/c1-11-12(2)19(21)23-18-13(3)17(9-8-16(11)18)22-10-14-4-6-15(20)7-5-14/h4-9H,10H2,1-3H3 |
| InChIKey | BQSRPWOEXLGBBT-UHFFFAOYSA-N |
| Mol Weight | 312.34 g/mol |
| Molecular Formula | C19H17FO3 |
| Exact Mass | 312.116173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KJDC3w6q1PG |
|---|---|
| Name | 7-[(4-Fluorobenzyl)oxy]-3,4,8-trimethyl-2H-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.116172567 u |
| Formula | C19H17FO3 |
| InChI | InChI=1S/C19H17FO3/c1-11-12(2)19(21)23-18-13(3)17(9-8-16(11)18)22-10-14-4-6-15(20)7-5-14/h4-9H,10H2,1-3H3 |
| InChIKey | BQSRPWOEXLGBBT-UHFFFAOYSA-N |
| Molecular Weight | 312.340 g/mol |
| SMILES | C=12OC(=O)C(=C(C2=CC=C(C1C)OCC=1C=CC(=CC1)F)C)C |