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Pimelic acid, 3-fluorophenyl pentadecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, 3-fluorophenyl pentadecyl ester
SpectraBase Compound ID Eb1i7EiDWSH
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-32-27(30)21-15-14-16-22-28(31)33-26-20-18-19-25(29)24-26/h18-20,24H,2-17,21-23H2,1H3
InChIKey HYDVHQUGDSHZOS-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H45FO4
Exact Mass 464.330188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 315meElFOYA
Name Pimelic acid, 3-fluorophenyl pentadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45FO4
InChI InChI=1S/C28H45FO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-32-27(30)21-15-14-16-22-28(31)33-26-20-18-19-25(29)24-26/h18-20,24H,2-17,21-23H2,1H3
InChIKey HYDVHQUGDSHZOS-UHFFFAOYSA-N
Molecular Weight 464.662 g/mol
SMILES C(CCCCCC(Oc1cccc(c1)F)=O)(OCCCCCCCCCCCCCCC)=O
SPLASH splash10-002f-9701000000-32684ed6f3ece2ba138f
Source of Spectrum TIPS-2022-378-0
Wiley ID 1821895