| SpectraBase Compound ID | DMFQNKKBUhr |
|---|---|
| InChI | InChI=1S/C16H12FNO3/c17-12-2-1-3-13(9-12)18-7-6-14(19)11-4-5-15-16(8-11)21-10-20-15/h1-9,18H,10H2/b7-6- |
| InChIKey | KEZGKNMBDPIMBJ-SREVYHEPSA-N |
| Mol Weight | 285.27 g/mol |
| Molecular Formula | C16H12FNO3 |
| Exact Mass | 285.080121 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90ANfUx2whJ |
|---|---|
| Name | (2Z)-1-(1,3-Benzodioxol-5-yl)-3-(3-fluoroanilino)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.080121410 u |
| Formula | C16H12FNO3 |
| InChI | InChI=1S/C16H12FNO3/c17-12-2-1-3-13(9-12)18-7-6-14(19)11-4-5-15-16(8-11)21-10-20-15/h1-9,18H,10H2/b7-6- |
| InChIKey | KEZGKNMBDPIMBJ-SREVYHEPSA-N |
| Molecular Weight | 285.274 g/mol |
| SMILES | N(\C=C/C(C=1C=C2C(OCO2)=CC1)=O)C1=CC(F)=CC=C1 |