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1-(6-Chloro-perfluorohexane)-2-iodoheptane
SpectraBase Compound ID 3vOJvY3FEcP
InChI InChI=1S/C13H14ClF12I/c1-2-3-4-5-7(27)6-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(14,25)26/h7H,2-6H2,1H3
InChIKey DLDDROSNBMUSBZ-UHFFFAOYSA-N
Mol Weight 560.59 g/mol
Molecular Formula C13H14ClF12I
Exact Mass 559.963711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vYq8KLagry
Name 1-(6-Chloro-perfluorohexane)-2-iodoheptane
Alternate Name(s) 1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-8-iodotridecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14ClF12I
InChI InChI=1S/C13H14ClF12I/c1-2-3-4-5-7(27)6-8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)13(14,25)26/h7H,2-6H2,1H3
InChIKey DLDDROSNBMUSBZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.19880060210
Molecular Weight 560.593 g/mol
SMILES C(F)(F)(C(F)(F)C(F)(F)CC(CCCCC)I)C(C(C(F)(F)Cl)(F)F)(F)F
SPLASH splash10-001i-2000900000-a2994ce65b5275259740
Source of Spectrum SI-6-158-158_1
Wiley ID 1813470