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5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1H-1,2,4-triazole

View entire compound with spectra: 2 MS (GC)

5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1H-1,2,4-triazole
SpectraBase Compound ID BWHbHwgzyh0
InChI InChI=1S/C11H6F7N3/c12-9(13,10(14,15)11(16,17)18)8-19-7(20-21-8)6-4-2-1-3-5-6/h1-5H,(H,19,20,21)
InChIKey AIZAMOOEHGSUGQ-UHFFFAOYSA-N
Mol Weight 313.18 g/mol
Molecular Formula C11H6F7N3
Exact Mass 313.044994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vmQGWR4nm7
Name 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1H-1,2,4-triazole
Alternate Name(s) 5-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]-3-phenyl-1H-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H6F7N3
InChI InChI=1S/C11H6F7N3/c12-9(13,10(14,15)11(16,17)18)8-19-7(20-21-8)6-4-2-1-3-5-6/h1-5H,(H,19,20,21)
InChIKey AIZAMOOEHGSUGQ-UHFFFAOYSA-N
Molecular Weight 313.179 g/mol
SMILES [nH]1c(nc(n1)-c1ccccc1)C(C(C(F)(F)F)(F)F)(F)F
SPLASH splash10-03dl-2709000000-90635b326ef21e1b06d1
Source of Spectrum F-68-607-2
Wiley ID 1571587