SpectraBase Compound ID | IrARaiCusBR |
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InChI | InChI=1S/C17H22F2O4/c1-11(2)10-22-15(20)8-5-9-16(21)23-12(3)17-13(18)6-4-7-14(17)19/h4,6-7,11-12H,5,8-10H2,1-3H3 |
InChIKey | YLWWQUFIBITGEA-UHFFFAOYSA-N |
Mol Weight | 328.36 g/mol |
Molecular Formula | C17H22F2O4 |
Exact Mass | 328.148616 g/mol |
SpectraBase Spectrum ID | 9ILCpNXyVjQ |
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Name | Glutaric acid, 1-(2,6-difluorophenyl)ethyl isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 328.148615510 u |
Formula | C17H22F2O4 |
InChI | InChI=1S/C17H22F2O4/c1-11(2)10-22-15(20)8-5-9-16(21)23-12(3)17-13(18)6-4-7-14(17)19/h4,6-7,11-12H,5,8-10H2,1-3H3 |
InChIKey | YLWWQUFIBITGEA-UHFFFAOYSA-N |
Molecular Weight | 328.356 g/mol |
SMILES | C(OC(C)C1=C(C=CC=C1F)F)(=O)CCCC(OCC(C)C)=O |