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Pimelic acid, 3-fluorophenyl tetradecyl ester
SpectraBase Compound ID 4ODre3iCg5
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-31-26(29)20-14-13-15-21-27(30)32-25-19-17-18-24(28)23-25/h17-19,23H,2-16,20-22H2,1H3
InChIKey GGPLUBZOGPMARB-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C27H43FO4
Exact Mass 450.314538 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyCivLecPWA
Name Pimelic acid, 3-fluorophenyl tetradecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H43FO4
InChI InChI=1S/C27H43FO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-22-31-26(29)20-14-13-15-21-27(30)32-25-19-17-18-24(28)23-25/h17-19,23H,2-16,20-22H2,1H3
InChIKey GGPLUBZOGPMARB-UHFFFAOYSA-N
Molecular Weight 450.635 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCCCCCCCCCC)=O
SPLASH splash10-054o-9601000000-5277a77e725072f1a781
Source of Spectrum TIPS-2022-377-0
Wiley ID 1821894