SpectraBase Compound ID | 2ZeU9cCoLCe |
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InChI | InChI=1S/C17H23FO4/c1-3-13(4-2)12-21-16(19)10-7-11-17(20)22-15-9-6-5-8-14(15)18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3 |
InChIKey | XXBHXKPHLZCYIC-UHFFFAOYSA-N |
Mol Weight | 310.37 g/mol |
Molecular Formula | C17H23FO4 |
Exact Mass | 310.158037 g/mol |
SpectraBase Spectrum ID | GkZtmhUY9Up |
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Name | Glutaric acid, 2-fluorophenyl 2-ethylbutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 310.158037380 u |
Formula | C17H23FO4 |
InChI | InChI=1S/C17H23FO4/c1-3-13(4-2)12-21-16(19)10-7-11-17(20)22-15-9-6-5-8-14(15)18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3 |
InChIKey | XXBHXKPHLZCYIC-UHFFFAOYSA-N |
Molecular Weight | 310.365 g/mol |
SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OCC(CC)CC)=O |