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Pimelic acid, pentafluorophenyl heptadecyl ester
SpectraBase Compound ID D7D8NB5LemB
InChI InChI=1S/C30H45F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-38-23(36)20-17-16-18-21-24(37)39-30-28(34)26(32)25(31)27(33)29(30)35/h2-22H2,1H3
InChIKey PCVLYFLQCNOLRU-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C30H45F5O4
Exact Mass 564.323801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJDL7SF64Ct
Name Pimelic acid, pentafluorophenyl heptadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H45F5O4
InChI InChI=1S/C30H45F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-38-23(36)20-17-16-18-21-24(37)39-30-28(34)26(32)25(31)27(33)29(30)35/h2-22H2,1H3
InChIKey PCVLYFLQCNOLRU-UHFFFAOYSA-N
Molecular Weight 564.678 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1F)F)F)F)F)=O)(OCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9501000000-6a55576bb8050d393c3d
Source of Spectrum TIPS-2022-401-0
Wiley ID 1821918