SpectraBase Compound ID | Gyr91RZ0Axz |
---|---|
InChI | InChI=1S/C13H10F8O2/c1-7-3-2-4-8(5-7)9(22)23-6-11(16,17)13(20,21)12(18,19)10(14)15/h2-5,10H,6H2,1H3 |
InChIKey | RCTMJYWWMYCKPC-UHFFFAOYSA-N |
Mol Weight | 350.21 g/mol |
Molecular Formula | C13H10F8O2 |
Exact Mass | 350.055305 g/mol |
SpectraBase Spectrum ID | GEI2zeuxeuC |
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Name | Benzoic acid, 3-methyl-, 2,2,3,3,4,4,5,5-octafluoropentyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 350.055304864 u |
Formula | C13H10F8O2 |
InChI | InChI=1S/C13H10F8O2/c1-7-3-2-4-8(5-7)9(22)23-6-11(16,17)13(20,21)12(18,19)10(14)15/h2-5,10H,6H2,1H3 |
InChIKey | RCTMJYWWMYCKPC-UHFFFAOYSA-N |
Molecular Weight | 350.208 g/mol |
SMILES | C1=CC=C(C=C1C(=O)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)C |