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1H-Pyrazole, 4-nitro-3-(4-nitrophenyl)-5-(pentadecafluoroheptyl)-

View entire compound with spectra: 1 MS (GC)

1H-Pyrazole, 4-nitro-3-(4-nitrophenyl)-5-(pentadecafluoroheptyl)-
SpectraBase Compound ID Gy0Ud2d2Cma
InChI InChI=1S/C16H5F15N4O4/c17-10(18,9-8(35(38)39)7(32-33-9)5-1-3-6(4-2-5)34(36)37)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-4H,(H,32,33)
InChIKey DOGMOJNSKDMULB-UHFFFAOYSA-N
Mol Weight 602.22 g/mol
Molecular Formula C16H5F15N4O4
Exact Mass 602.007127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZd5rhLPEOU
Name 1H-Pyrazole, 4-nitro-3-(4-nitrophenyl)-5-(pentadecafluoroheptyl)-
Alternate Name(s) 4-Nitro-3-(4-nitrophenyl)-5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1H-pyrazole 5-Nitrophenyl-4-nitro-3-perfluoroheptyl-pyrazole
CAS Registry Number 82633-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H5F15N4O4
InChI InChI=1S/C16H5F15N4O4/c17-10(18,9-8(35(38)39)7(32-33-9)5-1-3-6(4-2-5)34(36)37)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h1-4H,(H,32,33)
InChIKey DOGMOJNSKDMULB-UHFFFAOYSA-N
Molecular Weight 602.216 g/mol
SMILES [nH]1nc(c(c1C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N(=O)=O)-c1ccc(N(=O)=O)cc1
SPLASH splash10-0udi-3020019000-c6a81ef7eaa27839caf7
Source of Spectrum AC-1982-94-0
Wiley ID 1410251