![7-[(2-Chloro-6-fluorobenzyl)oxy]-4-methylcoumarin](/api/spectrum/5oypFbXeBiB/structure.png?h=300&w=458 "7-[(2-Chloro-6-fluorobenzyl)oxy]-4-methylcoumarin")
| SpectraBase Compound ID | 6EUUHoGDheP |
|---|---|
| InChI | InChI=1S/C17H12ClFO3/c1-10-7-17(20)22-16-8-11(5-6-12(10)16)21-9-13-14(18)3-2-4-15(13)19/h2-8H,9H2,1H3 |
| InChIKey | SBUANIAUGARJCP-UHFFFAOYSA-N |
| Mol Weight | 318.73 g/mol |
| Molecular Formula | C17H12ClFO3 |
| Exact Mass | 318.0459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5oypFbXeBiB |
|---|---|
| Name | 7-[(2-Chloro-6-fluorobenzyl)oxy]-4-methylcoumarin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.045900106 u |
| Formula | C17H12ClFO3 |
| InChI | InChI=1S/C17H12ClFO3/c1-10-7-17(20)22-16-8-11(5-6-12(10)16)21-9-13-14(18)3-2-4-15(13)19/h2-8H,9H2,1H3 |
| InChIKey | SBUANIAUGARJCP-UHFFFAOYSA-N |
| Molecular Weight | 318.731 g/mol |
| SMILES | C1=C(C(=C(F)C=C1)COC=1C=C2OC(C=C(C2=CC1)C)=O)Cl |