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Pimelic acid, pentafluorophenyl tetradecyl ester
SpectraBase Compound ID Hq93eqNW4iM
InChI InChI=1S/C27H39F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-35-20(33)17-14-13-15-18-21(34)36-27-25(31)23(29)22(28)24(30)26(27)32/h2-19H2,1H3
InChIKey QHPJWVMIDSDPDD-UHFFFAOYSA-N
Mol Weight 522.6 g/mol
Molecular Formula C27H39F5O4
Exact Mass 522.276851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BC8Mu47M1YN
Name Pimelic acid, pentafluorophenyl tetradecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39F5O4
InChI InChI=1S/C27H39F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-35-20(33)17-14-13-15-18-21(34)36-27-25(31)23(29)22(28)24(30)26(27)32/h2-19H2,1H3
InChIKey QHPJWVMIDSDPDD-UHFFFAOYSA-N
Molecular Weight 522.597 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1F)F)F)F)F)=O)(OCCCCCCCCCCCCCC)=O
SPLASH splash10-052f-9500000000-79da2a5410c968855b8e
Source of Spectrum TIPS-2022-398-0
Wiley ID 1821915