Perfluoro-3,5,5-trimethylhexanoic acid

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Systematic / IUPAC Name: 2,2,3,4,4,6,6,6-Octafluoro-3,5,5-tris(trifluoromethyl)hexanoic acid

ID: Reference13276

Other Names: AA-1602

Formula: C9HF17O2

Spectral Data

Perfluoro-3,5,5-trimethylhexanoic 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 104
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/20/2024 10:37:32 AM
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Identificators

InChI InChI=1S/C9HF17O2/c10-2(11,1(27)28)4(12,9(24,25)26)5(13,14)3(6(15,16)17,7(18,19)20)8(21,22)23/h(H,27,28)
InChI Key HVTQXQHCPONZQV-UHFFFAOYSA-N
Canonical SMILES C(=O)(C(C(C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F)O
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Other Names AA-1602

In Other Databases

PubChem 2776395