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Heptaethylene glycol 2TFA
SpectraBase Compound ID D1nsJm7z1Xe
InChI InChI=1S/C18H28F6O10/c19-17(20,21)15(25)33-13-11-31-9-7-29-5-3-27-1-2-28-4-6-30-8-10-32-12-14-34-16(26)18(22,23)24/h1-14H2
InChIKey BIKWWTGIGYWFAV-UHFFFAOYSA-N
Mol Weight 518.4 g/mol
Molecular Formula C18H28F6O10
Exact Mass 518.158666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGj7YQaqG1Y
Name Heptaethylene glycol 2TFA
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 518.158666070 u
Formula C18H28F6O10
InChI InChI=1S/C18H28F6O10/c19-17(20,21)15(25)33-13-11-31-9-7-29-5-3-27-1-2-28-4-6-30-8-10-32-12-14-34-16(26)18(22,23)24/h1-14H2
InChIKey BIKWWTGIGYWFAV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 518.402 g/mol
Nominal Mass 518 u
Quality 998
Retention Index 3555
SMILES C(C(OCCOCCOCCOCCOCCOCCOCCOC(C(F)(F)F)=O)=O)(F)(F)F
SPLASH splash10-0006-5900000000-4b48f5d10b2cf9e44175
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Heptaethylene glycol bis(trifluoroacetate) 23,23,23-trifluoro-22-oxo-3,6,9,12,15,18,21-heptaoxatricos-1-yl trifluoroacetate
Technique GC/MS
Wiley ID DD2024_018316