7H-Dodecafluoroheptanoic acid

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Systematic / IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid

ID: Reference12407

Other Names: 7H-Perfluoroheptanoic acid;
Dodecafluoroheptanoic acid;
Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-;
ω-Monohydroperfluoroheptanoic acid

Formula: C7H2F12O2

Class: Perfluorinated Hydrocarbons

Spectral Data

7H-Dodecafluoroheptanoic 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 Fusion
No. of Spectral Trees 1
No. of Spectra 249
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/24/2023 1:29:28 PM
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Identificators

InChI InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)
InChI Key JZHDEEOTEUVLHR-UHFFFAOYSA-N
Canonical SMILES C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
CAS 1546958
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Other Names 7H-Perfluoroheptanoic acid;
Dodecafluoroheptanoic acid;
Heptanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-;
ω-Monohydroperfluoroheptanoic acid

In Other Databases

ChemIDPlus 001546958
ChemSpider 14509
PubChem 15243