| SpectraBase Compound ID | LO8bdqOrMPj |
|---|---|
| InChI | InChI=1S/C16H12FNO2/c17-12-3-1-2-11(6-12)16-13-8-15-14(19-9-20-15)7-10(13)4-5-18-16/h1-3,6-8H,4-5,9H2 |
| InChIKey | ZDRAPPLXJZVBNZ-UHFFFAOYSA-N |
| Mol Weight | 269.28 g/mol |
| Molecular Formula | C16H12FNO2 |
| Exact Mass | 269.085207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6yorYRUVJpx |
|---|---|
| Name | 1-(3-Fluorophenyl)-6,7-methylenedioxy-3,4-dihydroisoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.085206791 u |
| Formula | C16H12FNO2 |
| InChI | InChI=1S/C16H12FNO2/c17-12-3-1-2-11(6-12)16-13-8-15-14(19-9-20-15)7-10(13)4-5-18-16/h1-3,6-8H,4-5,9H2 |
| InChIKey | ZDRAPPLXJZVBNZ-UHFFFAOYSA-N |
| Molecular Weight | 269.275 g/mol |
| SMILES | c12C(=NCCc2cc2OCOc2c1)c1cc(F)ccc1 |