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5-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1H-pyrazol-5-yl)hexyl]-1H-pyrazole
SpectraBase Compound ID xzLFFWlU1c
InChI InChI=1S/C12H6F12N4/c13-7(14,5-1-3-25-27-5)9(17,18)11(21,22)12(23,24)10(19,20)8(15,16)6-2-4-26-28-6/h1-4H,(H,25,27)(H,26,28)
InChIKey NWRNCXRHJZRBKR-UHFFFAOYSA-N
Mol Weight 434.19 g/mol
Molecular Formula C12H6F12N4
Exact Mass 434.040084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J8H0KjJt2E2
Name 5-[1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1H-pyrazol-5-yl)hexyl]-1H-pyrazole
Alternate Name(s) 5-[1,1,2,2,3,3,4,4,5,5,6,6-dodecakis(fluoranyl)-6-(1H-pyrazol-5-yl)hexyl]-1H-pyrazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F12N4
InChI InChI=1S/C12H6F12N4/c13-7(14,5-1-3-25-27-5)9(17,18)11(21,22)12(23,24)10(19,20)8(15,16)6-2-4-26-28-6/h1-4H,(H,25,27)(H,26,28)
InChIKey NWRNCXRHJZRBKR-UHFFFAOYSA-N
Molecular Weight 434.189 g/mol
SMILES [nH]1ccc(C(C(C(C(C(C(c2n[nH]cc2)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)n1
SPLASH splash10-014i-0900300000-8566d109fc704c5a8213
Source of Spectrum KC-0-2163-3
Wiley ID 781826