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Pimelic acid, pentafluorophenyl octadecyl ester
SpectraBase Compound ID 3q0gzLHotvG
InChI InChI=1S/C31H47F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-39-24(37)21-18-17-19-22-25(38)40-31-29(35)27(33)26(32)28(34)30(31)36/h2-23H2,1H3
InChIKey IITIVVSOWIRLNY-UHFFFAOYSA-N
Mol Weight 578.7 g/mol
Molecular Formula C31H47F5O4
Exact Mass 578.339451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99B1almKgRM
Name Pimelic acid, pentafluorophenyl octadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H47F5O4
InChI InChI=1S/C31H47F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-39-24(37)21-18-17-19-22-25(38)40-31-29(35)27(33)26(32)28(34)30(31)36/h2-23H2,1H3
InChIKey IITIVVSOWIRLNY-UHFFFAOYSA-N
Molecular Weight 578.705 g/mol
SMILES C(CCCCCC(Oc1c(c(c(c(c1F)F)F)F)F)=O)(OCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0006-9600000000-f559fbc8c6cfa8f54146
Source of Spectrum TIPS-2022-402-0
Wiley ID 1821919