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Pimelic acid, 3-fluorophenyl isobutyl ester
SpectraBase Compound ID 6UJc6I37tp2
InChI InChI=1S/C17H23FO4/c1-13(2)12-21-16(19)9-4-3-5-10-17(20)22-15-8-6-7-14(18)11-15/h6-8,11,13H,3-5,9-10,12H2,1-2H3
InChIKey QBAAFWWCEBFKFQ-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C17H23FO4
Exact Mass 310.158037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LCAqIbUIX2
Name Pimelic acid, 3-fluorophenyl isobutyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23FO4
InChI InChI=1S/C17H23FO4/c1-13(2)12-21-16(19)9-4-3-5-10-17(20)22-15-8-6-7-14(18)11-15/h6-8,11,13H,3-5,9-10,12H2,1-2H3
InChIKey QBAAFWWCEBFKFQ-UHFFFAOYSA-N
Molecular Weight 310.365 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCC(C)C)=O
SPLASH splash10-054p-9710000000-583f87e2c4e76221e824
Source of Spectrum TIPS-2022-366-0
Wiley ID 1821883