[2,2,2-trideuterio-1-(trideuteriomethyl)ethyl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate

SpectraBase Compound ID	95r8R8oDTim
InChI	InChI=1S/C11H7F17O3S/c1-3(2)31-32(29,30)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h3H,1-2H3/i1D3,2D3
InChIKey	FHRBILGDHXOAGH-WFGJKAKNSA-N Google Search
Mol Weight	548.24 g/mol
Molecular Formula	C11HD6F17O3S
Exact Mass	548.022105 g/mol

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SpectraBase Spectrum ID	GCNNbEuzDBJ
Name	[2,2,2-trideuterio-1-(trideuteriomethyl)ethyl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C11HD6F17O3S
InChI	InChI=1S/C11H7F17O3S/c1-3(2)31-32(29,30)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h3H,1-2H3/i1D3,2D3
InChIKey	FHRBILGDHXOAGH-WFGJKAKNSA-N
Literature Reference DOI	10.1002/rcm.3241
Molecular Weight	548.243 g/mol
SMILES	C(C(C(C(C(C(C(C(S(OC(C([D])([D])[D])C([D])([D])[D])(=O)=O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
SPLASH	splash10-014i-5910300000-8e87a465226a8aebe004
Source of Spectrum	RCM-21-3551-d6_deriv_PFOS
Synonyms	Propan-2-yl-1,1,1,3,3,3-d6 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
Wiley ID	1820601