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Pimelic acid, pentafluorophenyl dodecyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, pentafluorophenyl dodecyl ester
SpectraBase Compound ID 2NDFzq7F2s5
InChI InChI=1S/C25H35F5O4/c1-2-3-4-5-6-7-8-9-10-14-17-33-18(31)15-12-11-13-16-19(32)34-25-23(29)21(27)20(26)22(28)24(25)30/h2-17H2,1H3
InChIKey KGKNRDNOIOQNBH-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C25H35F5O4
Exact Mass 494.24555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5XJGGs9mG5
Name Pimelic acid, pentafluorophenyl dodecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35F5O4
InChI InChI=1S/C25H35F5O4/c1-2-3-4-5-6-7-8-9-10-14-17-33-18(31)15-12-11-13-16-19(32)34-25-23(29)21(27)20(26)22(28)24(25)30/h2-17H2,1H3
InChIKey KGKNRDNOIOQNBH-UHFFFAOYSA-N
Molecular Weight 494.543 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1F)F)F)F)F)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-052f-9501000000-5ccc4203df4a843070b6
Source of Spectrum TIPS-2022-396-0
Wiley ID 1821913