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Perfluorooctanoic acid
SpectraBase Compound ID 3t2xaAGm3OP
InChI InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
InChIKey SNGREZUHAYWORS-UHFFFAOYSA-N
Mol Weight 414.07 g/mol
Molecular Formula C8HF15O2
Exact Mass 413.973702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oh0Ji3mEaW
Name Pentadecafluorooctanoic acid
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 413.973701715 u
Formula C8HF15O2
InChI InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)
InChIKey SNGREZUHAYWORS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 414.070 g/mol
Nominal Mass 414 u
Quality 997
Retention Index 491
SMILES OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O
SPLASH splash10-00lr-7910000000-da0714cc06e29972e716
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
Technique GC/MS
Wiley ID DD2024_022701