SpectraBase Compound ID | RC8LRxmDjZ |
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InChI | InChI=1S/C15H9F5O2/c1-6-4-3-5-8(7(6)2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3 |
InChIKey | AFSWCWLWXSWWLK-UHFFFAOYSA-N |
Mol Weight | 316.23 g/mol |
Molecular Formula | C15H9F5O2 |
Exact Mass | 316.05227 g/mol |
SpectraBase Spectrum ID | Kh51hpRTZxI |
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Name | Pentafluorobenzoic acid, 2,3-dimethylphenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 316.052270343 u |
Formula | C15H9F5O2 |
InChI | InChI=1S/C15H9F5O2/c1-6-4-3-5-8(7(6)2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-5H,1-2H3 |
InChIKey | AFSWCWLWXSWWLK-UHFFFAOYSA-N |
Molecular Weight | 316.227 g/mol |
SMILES | CC1=CC=CC(=C1C)OC(C1=C(C(=C(F)C(=C1F)F)F)F)=O |