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Pimelic acid, pentafluorophenyl octyl ester

View entire compound with spectra: 1 MS (GC)

Pimelic acid, pentafluorophenyl octyl ester
SpectraBase Compound ID JvZLuYUHg2t
InChI InChI=1S/C21H27F5O4/c1-2-3-4-5-6-10-13-29-14(27)11-8-7-9-12-15(28)30-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3
InChIKey VCULOHNKSWMLHF-UHFFFAOYSA-N
Mol Weight 438.44 g/mol
Molecular Formula C21H27F5O4
Exact Mass 438.18295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9XLpUlXWO3Z
Name Pimelic acid, pentafluorophenyl octyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27F5O4
InChI InChI=1S/C21H27F5O4/c1-2-3-4-5-6-10-13-29-14(27)11-8-7-9-12-15(28)30-21-19(25)17(23)16(22)18(24)20(21)26/h2-13H2,1H3
InChIKey VCULOHNKSWMLHF-UHFFFAOYSA-N
Molecular Weight 438.435 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1F)F)F)F)F)=O)(OCCCCCCCC)=O
SPLASH splash10-054o-9510000000-ba0a3040efbc27e94fcf
Source of Spectrum TIPS-2022-393-0
Wiley ID 1821910