SpectraBase Compound ID | 1gUQpGmKM7 |
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InChI | InChI=1S/C16H12F4O2/c1-9-6-7-11(8-10(9)2)22-15(21)12-4-3-5-13(14(12)17)16(18,19)20/h3-8H,1-2H3 |
InChIKey | UDKMZEIXSGNBAO-UHFFFAOYSA-N |
Mol Weight | 312.26 g/mol |
Molecular Formula | C16H12F4O2 |
Exact Mass | 312.077342 g/mol |
SpectraBase Spectrum ID | IE92Xo2OlXX |
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Name | 2-Fluoro-3-trifluoromethylbenzoic acid, 3,4-dimethylphenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 312.077342276 u |
Formula | C16H12F4O2 |
InChI | InChI=1S/C16H12F4O2/c1-9-6-7-11(8-10(9)2)22-15(21)12-4-3-5-13(14(12)17)16(18,19)20/h3-8H,1-2H3 |
InChIKey | UDKMZEIXSGNBAO-UHFFFAOYSA-N |
Molecular Weight | 312.264 g/mol |
SMILES | C(C1=C(C(=CC=C1)C(F)(F)F)F)(OC1=CC=C(C)C(C)=C1)=O |