SpectraBase Compound ID | CN3L1OvoCEk |
---|---|
InChI | InChI=1S/C17H23FO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-10-8-7-9-13(14)18/h7-10,12H,5-6,11H2,1-4H3 |
InChIKey | WTLLIUHLZGKJHU-UHFFFAOYSA-N |
Mol Weight | 310.37 g/mol |
Molecular Formula | C17H23FO4 |
Exact Mass | 310.158037 g/mol |
SpectraBase Spectrum ID | 8xwFqAVKOkA |
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Name | Diethylmalonic acid, 2-fluorophenyl isobutyl 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/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-10-8-7-9-13(14)18/h7-10,12H,5-6,11H2,1-4H3 |
InChIKey | WTLLIUHLZGKJHU-UHFFFAOYSA-N |
Molecular Weight | 310.365 g/mol |
SMILES | C(C(C(OCC(C)C)=O)(C(OC1=C(C=CC=C1)F)=O)CC)C |