| SpectraBase Compound ID | 36nBgQW0qDD |
|---|---|
| InChI | InChI=1S/C14H10FNO2/c15-9-4-3-5-10(8-9)16-13-11-6-1-2-7-12(11)14(17)18-13/h1-8,13,16H |
| InChIKey | QYACWYZJDSZNBR-UHFFFAOYSA-N |
| Mol Weight | 243.24 g/mol |
| Molecular Formula | C14H10FNO2 |
| Exact Mass | 243.069557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9unvYUlQ4Lz |
|---|---|
| Name | Isobenzofuran-1(3H)-one, 3-(3-fluorophenylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.069556727 u |
| Formula | C14H10FNO2 |
| InChI | InChI=1S/C14H10FNO2/c15-9-4-3-5-10(8-9)16-13-11-6-1-2-7-12(11)14(17)18-13/h1-8,13,16H |
| InChIKey | QYACWYZJDSZNBR-UHFFFAOYSA-N |
| Molecular Weight | 243.237 g/mol |
| SMILES | C1=CC=2C(OC(=O)C2C=C1)NC=1C=C(C=CC1)F |