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9-Pefluorooctyl-octadecanoic acid

View entire compound with spectra: 1 MS (GC)

9-Pefluorooctyl-octadecanoic acid
SpectraBase Compound ID GG38XxNS4v0
InChI InChI=1S/C26H35F17O2/c1-2-3-4-5-6-8-11-14-17(15-12-9-7-10-13-16-18(44)45)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h17H,2-16H2,1H3,(H,44,45)
InChIKey UAFHTVUEELZDRL-UHFFFAOYSA-N
Mol Weight 702.5 g/mol
Molecular Formula C26H35F17O2
Exact Mass 702.236559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXgwensf2A7
Name 9-Pefluorooctyl-octadecanoic acid
CAS Registry Number 138697-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35F17O2
InChI InChI=1S/C26H35F17O2/c1-2-3-4-5-6-8-11-14-17(15-12-9-7-10-13-16-18(44)45)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h17H,2-16H2,1H3,(H,44,45)
InChIKey UAFHTVUEELZDRL-UHFFFAOYSA-N
Molecular Weight 702.537 g/mol
SMILES OC(CCCCCCCC(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCCCCCC)=O
SPLASH splash10-03r0-9000000000-6892869fb9dfb7968033
Source of Spectrum U-1992-214-11
Synonyms 9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)octadecanoic acid
Wiley ID 763729