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Pimelic acid, 3-fluorophenyl dodecyl ester
SpectraBase Compound ID D9dX2s6QK55
InChI InChI=1S/C25H39FO4/c1-2-3-4-5-6-7-8-9-10-14-20-29-24(27)18-12-11-13-19-25(28)30-23-17-15-16-22(26)21-23/h15-17,21H,2-14,18-20H2,1H3
InChIKey JFXURMWSZNDLEB-UHFFFAOYSA-N
Mol Weight 422.6 g/mol
Molecular Formula C25H39FO4
Exact Mass 422.283238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfIbSjDN8aA
Name Pimelic acid, 3-fluorophenyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39FO4
InChI InChI=1S/C25H39FO4/c1-2-3-4-5-6-7-8-9-10-14-20-29-24(27)18-12-11-13-19-25(28)30-23-17-15-16-22(26)21-23/h15-17,21H,2-14,18-20H2,1H3
InChIKey JFXURMWSZNDLEB-UHFFFAOYSA-N
Molecular Weight 422.581 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-052f-9501000000-f67840d23866bb7f532d
Source of Spectrum TIPS-2022-375-0
Wiley ID 1821892