4,4,5,5,6,6,6-Heptafluorohexanoic acid

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Systematic / IUPAC Name:

ID: Reference13236

Other Names: 33FTA;
2H,2H,3H,3H-Perfluorohexanoic acid;
AA-1631

Formula: C6H5F7O2

Class: Perfluorinated Hydrocarbons

Spectral Data

4,4,5,5,6,6,6-Heptafluorohexanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 805
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 8/1/2024 7:48:49 AM
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Identificators

InChI InChI=1S/C6H5F7O2/c7-4(8,2-1-3(14)15)5(9,10)6(11,12)13/h1-2H2,(H,14,15)
InChI Key ISFKSWMQWIRDNC-UHFFFAOYSA-N
Canonical SMILES C(CC(C(C(F)(F)F)(F)F)(F)F)C(=O)O
CAS
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Other Names 33FTA;
2H,2H,3H,3H-Perfluorohexanoic acid;
AA-1631

In Other Databases

ChemSpider 2055285
PubChem 2774909; 2774909