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9-Pefluorohexyl-octadecanoic acid

View entire compound with spectra: 1 MS (GC)

9-Pefluorohexyl-octadecanoic acid
SpectraBase Compound ID 9Hn1CEkZBR
InChI InChI=1S/C24H35F13O2/c1-2-3-4-5-6-8-11-14-17(15-12-9-7-10-13-16-18(38)39)19(25,26)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37/h17H,2-16H2,1H3,(H,38,39)
InChIKey YGSXMUNPGXGDKK-UHFFFAOYSA-N
Mol Weight 602.5 g/mol
Molecular Formula C24H35F13O2
Exact Mass 602.242946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9waBINiXqux
Name 9-Pefluorohexyl-octadecanoic acid
Alternate Name(s) 9-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)octadecanoic acid
CAS Registry Number 138697-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35F13O2
InChI InChI=1S/C24H35F13O2/c1-2-3-4-5-6-8-11-14-17(15-12-9-7-10-13-16-18(38)39)19(25,26)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)37/h17H,2-16H2,1H3,(H,38,39)
InChIKey YGSXMUNPGXGDKK-UHFFFAOYSA-N
Molecular Weight 602.521 g/mol
SMILES OC(CCCCCCCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCCCCC)=O
SPLASH splash10-03r0-9000000000-fbb2f4b353472d92b0f4
Source of Spectrum U-1992-214-11
Wiley ID 763730