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1-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)-4-[[(2R,3S,7S,11S)-3,7,11-trimethyltridecan-2-yl]oxymethyl]benzene
SpectraBase Compound ID KGwHQ5axfYS
InChI InChI=1S/C32H45F13O2/c1-6-21(2)10-7-11-22(3)12-8-13-23(4)24(5)47-20-25-14-16-26(17-15-25)46-19-9-18-27(33,34)28(35,36)29(37,38)30(39,40)31(41,42)32(43,44)45/h14-17,21-24H,6-13,18-20H2,1-5H3/t21-,22-,23-,24+/m0/s1
InChIKey IJRAUGOIECVSRO-NEWJYFPISA-N
Mol Weight 708.7 g/mol
Molecular Formula C32H45F13O2
Exact Mass 708.321197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbbVAHC7Swq
Name 1-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)-4-[[(2R,3S,7S,11S)-3,7,11-trimethyltridecan-2-yl]oxymethyl]benzene
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Formula C32H45F13O2
InChI InChI=1S/C32H45F13O2/c1-6-21(2)10-7-11-22(3)12-8-13-23(4)24(5)47-20-25-14-16-26(17-15-25)46-19-9-18-27(33,34)28(35,36)29(37,38)30(39,40)31(41,42)32(43,44)45/h14-17,21-24H,6-13,18-20H2,1-5H3/t21-,22-,23-,24+/m0/s1
InChIKey IJRAUGOIECVSRO-NEWJYFPISA-N
Molecular Weight 708.689 g/mol
SMILES C(C(C(C(F)(F)CCCOc1ccc(CO[C@@]([C@](CCC[C@](CCC[C@](CC)(C)[H])(C)[H])(C)[H])(C)[H])cc1)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-014i-0000900000-91c5adf68019ac1c7a3a
Source of Spectrum F-70-9461-23
Synonyms 1-[4,4,5,5,6,6,7,7,8,8,9,9,9-tridecakis(fluoranyl)nonoxy]-4-[[(2R,3S,7S,11S)-3,7,11-trimethyltridecan-2-yl]oxymethyl]benzene 1-[[(1R,2S,6S,10S)-1,2,6,10-tetramethyldodecoxy]methyl]-4-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)benzene
Wiley ID 1597808