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5-Iodo-4-phenyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1H-[1,2,3]triazole
SpectraBase Compound ID JmdMgITC8Ma
InChI InChI=1S/C15H7F13IN3/c16-10(17,6-32-9(29)8(30-31-32)7-4-2-1-3-5-7)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H,6H2
InChIKey OQGPWHBVYNEALQ-UHFFFAOYSA-N
Mol Weight 603.13 g/mol
Molecular Formula C15H7F13IN3
Exact Mass 602.947708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXTh5ueaujF
Name 5-Iodo-4-phenyl-1-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)-1H-[1,2,3]triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H7F13IN3
InChI InChI=1S/C15H7F13IN3/c16-10(17,6-32-9(29)8(30-31-32)7-4-2-1-3-5-7)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H,6H2
InChIKey OQGPWHBVYNEALQ-UHFFFAOYSA-N
Molecular Weight 603.126 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C[n]1c(c(-c2ccccc2)nn1)I)(F)F)(F)F)(F)F
SPLASH splash10-000i-9030220000-a4383f2755e1a4441d54
Source of Spectrum CV-2005-1317-3
Wiley ID 1611712