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1,3,5-Tris(1,1,2,3,3,3-hexafluoropropyl)adamantane
SpectraBase Compound ID EOfINyaQh1j
InChI InChI=1S/C19H16F18/c20-8(17(29,30)31)14(23,24)11-1-7-2-12(4-11,15(25,26)9(21)18(32,33)34)6-13(3-7,5-11)16(27,28)10(22)19(35,36)37/h7-10H,1-6H2/t7-,8?,9?,10?,11-,12+,13-
InChIKey OFHDSYLLVOVPAO-TYBOBURDSA-N
Mol Weight 586.31 g/mol
Molecular Formula C19H16F18
Exact Mass 586.096457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gjk10zUIm2P
Name 1,3,5-Tris(1,1,2,3,3,3-hexafluoropropyl)adamantane
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Formula C19H16F18
InChI InChI=1S/C19H16F18/c20-8(17(29,30)31)14(23,24)11-1-7-2-12(4-11,15(25,26)9(21)18(32,33)34)6-13(3-7,5-11)16(27,28)10(22)19(35,36)37/h7-10H,1-6H2/t7-,8?,9?,10?,11-,12+,13-
InChIKey OFHDSYLLVOVPAO-TYBOBURDSA-N
Molecular Weight 586.308 g/mol
SMILES [C@]12(C(C(C(F)(F)F)F)(F)F)C[C@]3(C(C(C(F)(F)F)F)(F)F)CC(C[C@@](C2)(C(C(C(F)(F)F)F)(F)F)C3)C1
SPLASH splash10-000i-3020900000-5c2f7163a3ac6f4cfedb
Source of Spectrum KC-0-1633-33
Synonyms 1,3,5-tris[1,1,2,3,3,3-hexakis(fluoranyl)propyl]adamantane
Wiley ID 830890