SpectraBase Compound ID | 6XxW5gFRrnE |
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InChI | InChI=1S/C19H23F5O4/c1-4-5-6-7-8-9-10-27-17(25)19(2,3)18(26)28-16-14(23)12(21)11(20)13(22)15(16)24/h4-10H2,1-3H3 |
InChIKey | HYLMLHAPCAKDFU-UHFFFAOYSA-N |
Mol Weight | 410.38 g/mol |
Molecular Formula | C19H23F5O4 |
Exact Mass | 410.15165 g/mol |
SpectraBase Spectrum ID | Edauj1yqnSN |
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Name | Dimethylmalonic acid, octyl pentafluorophenyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 410.151650032 u |
Formula | C19H23F5O4 |
InChI | InChI=1S/C19H23F5O4/c1-4-5-6-7-8-9-10-27-17(25)19(2,3)18(26)28-16-14(23)12(21)11(20)13(22)15(16)24/h4-10H2,1-3H3 |
InChIKey | HYLMLHAPCAKDFU-UHFFFAOYSA-N |
Molecular Weight | 410.381 g/mol |
SMILES | CCCCCCCCOC(C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C)=O |