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1-(Perfluoroctanylsulfonyl)-4-methylpiperidine
SpectraBase Compound ID CtGRnKHzkW3
InChI InChI=1S/C14H12F17NO2S/c1-6-2-4-32(5-3-6)35(33,34)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h6H,2-5H2,1H3
InChIKey XUJDACCYBNROBW-UHFFFAOYSA-N
Mol Weight 581.29 g/mol
Molecular Formula C14H12F17NO2S
Exact Mass 581.031729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B0bqatjVPN
Name 1-(Perfluoroctanylsulfonyl)-4-methylpiperidine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 581.031728573 u
Formula C14H12F17NO2S
InChI InChI=1S/C14H12F17NO2S/c1-6-2-4-32(5-3-6)35(33,34)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h6H,2-5H2,1H3
InChIKey XUJDACCYBNROBW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 581.288 g/mol
Nominal Mass 581 u
Quality 882
Retention Index 1446
SMILES C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(S(N1CCC(CC1)C)(=O)=O)(F)F)(F)F)(F)F
SPLASH splash10-052b-9400000000-821e9840cc8d2f535806
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Piperidine,1-(perfluoroctanylsulfonyl)-4-methyl 1-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)-4-methylpiperidine
Technique GC/MS
Wiley ID DD2024_006034