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6-Perfluorooctyl-octadecanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-Perfluorooctyl-octadecanoic acid
SpectraBase Compound ID EH8VSRUnijg
InChI InChI=1S/C26H35F17O2/c1-2-3-4-5-6-7-8-9-10-11-14-17(15-12-13-16-18(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 XDUOLYCKLOFNCU-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 2bxQInQovwQ
Name 6-Perfluorooctyl-octadecanoic acid
CAS Registry Number 138697-27-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35F17O2
InChI InChI=1S/C26H35F17O2/c1-2-3-4-5-6-7-8-9-10-11-14-17(15-12-13-16-18(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 XDUOLYCKLOFNCU-UHFFFAOYSA-N
Molecular Weight 702.537 g/mol
SMILES OC(CCCCC(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)CCCCCCCCCCCC)=O
SPLASH splash10-03r0-9000000000-9548205447ef145f6aff
Source of Spectrum U-1992-215-15
Synonyms 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)octadecanoic acid 69-Pefluorooctyl-octadecanoic acid
Wiley ID 763726