| SpectraBase Compound ID | 2WGacmGGguy |
|---|---|
| InChI | InChI=1S/C16H12F2O2/c17-13-5-1-11(2-6-13)16(10-9-15(19)20-16)12-3-7-14(18)8-4-12/h1-8H,9-10H2 |
| InChIKey | VKIAZTGFDZGIPH-UHFFFAOYSA-N |
| Mol Weight | 274.27 g/mol |
| Molecular Formula | C16H12F2O2 |
| Exact Mass | 274.080536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InIqg5LHFvu |
|---|---|
| Name | 4,4-bis(4-Fluorophenyl)-4-butanolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.080535950 u |
| Formula | C16H12F2O2 |
| InChI | InChI=1S/C16H12F2O2/c17-13-5-1-11(2-6-13)16(10-9-15(19)20-16)12-3-7-14(18)8-4-12/h1-8H,9-10H2 |
| InChIKey | VKIAZTGFDZGIPH-UHFFFAOYSA-N |
| Molecular Weight | 274.267 g/mol |
| SMILES | C1(OC(=O)CC1)(C1=CC=C(C=C1)F)C=1C=CC(=CC1)F |