| SpectraBase Compound ID | LwPWMb6rFvA |
|---|---|
| InChI | InChI=1S/C14H12FN/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,16H2/b2-1- |
| InChIKey | AAVIHGPUAGOTOM-UPHRSURJSA-N |
| Mol Weight | 213.26 g/mol |
| Molecular Formula | C14H12FN |
| Exact Mass | 213.095378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ufzukP1Ixj |
|---|---|
| Name | (cis-Isomer) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.095377553 u |
| Formula | C14H12FN |
| InChI | InChI=1S/C14H12FN/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10H,16H2/b2-1- |
| InChIKey | AAVIHGPUAGOTOM-UPHRSURJSA-N |
| Molecular Weight | 213.255 g/mol |
| SMILES | C=1(N)C=CC(\C=C/C=2C=CC(=CC2)F)=CC1 |