SpectraBase Compound ID | ITa5NzsFr6L |
---|---|
InChI | InChI=1S/C15H17F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3 |
InChIKey | IWYSQBVZHZVYTO-UHFFFAOYSA-N |
Mol Weight | 324.29 g/mol |
Molecular Formula | C15H17F5O2 |
Exact Mass | 324.114871 g/mol |
SpectraBase Spectrum ID | 8ii4Ktu7n6C |
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Name | Octan-2-yl 2,3,4,5,6-pentafluorobenzoate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 324.114870600 u |
Formula | C15H17F5O2 |
InChI | InChI=1S/C15H17F5O2/c1-3-4-5-6-7-8(2)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h8H,3-7H2,1-2H3 |
InChIKey | IWYSQBVZHZVYTO-UHFFFAOYSA-N |
Molecular Weight | 324.291 g/mol |
SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OC(C)CCCCCC |