2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1,8-octanediol

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Systematic / IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctane-1,8-diol

ID: Reference12399

Other Names: 1,8-Dihydroxy-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctane;
1,8-Octanediol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-;
1H,1H,8H,8H-Dodecafluoro-1,8-octanediol;
1H,1H,8H,8H-Dodecafluorooctane-1,8-diol;
1H,1H,8H,8H-Perfluorooctane-1,8-diol

Formula: C8H6F12O2

Class: Perfluorinated Hydrocarbons

Spectral Data

2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-1,8-octanediol 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 998
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 3/21/2023 3:24:59 PM
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Identificators

InChI InChI=1S/C8H6F12O2/c9-3(10,1-21)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2-22/h21-22H,1-2H2
InChI Key XZJPYETUABEQFI-UHFFFAOYSA-N
Canonical SMILES C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
CAS 90177961
Splash
Other Names 1,8-Dihydroxy-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctane;
1,8-Octanediol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-;
1H,1H,8H,8H-Dodecafluoro-1,8-octanediol;
1H,1H,8H,8H-Dodecafluorooctane-1,8-diol;
1H,1H,8H,8H-Perfluorooctane-1,8-diol

In Other Databases

ChemSpider 3047007
PubChem 3820533; 3820533