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1H-Pyrazole, 1,5-dimethyl-4-nitro-3-(pentadecafluoroheptyl)-
SpectraBase Compound ID L45TniNvQ5P
InChI InChI=1S/C12H6F15N3O2/c1-3-4(30(31)32)5(28-29(3)2)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1-2H3
InChIKey YGVRAPQTCYDENK-UHFFFAOYSA-N
Mol Weight 509.18 g/mol
Molecular Formula C12H6F15N3O2
Exact Mass 509.022049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57abCvsDgsU
Name 1H-Pyrazole, 1,5-dimethyl-4-nitro-3-(pentadecafluoroheptyl)-
Alternate Name(s) 1,5-Dimethyl-4-nitro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1H-pyrazole 1,5-Dimethyl-4-nitro-3-perfluoroheptyl-pyrazole
CAS Registry Number 82644-64-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H6F15N3O2
InChI InChI=1S/C12H6F15N3O2/c1-3-4(30(31)32)5(28-29(3)2)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1-2H3
InChIKey YGVRAPQTCYDENK-UHFFFAOYSA-N
Molecular Weight 509.175 g/mol
SMILES c1(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c(c(C)[n](n1)C)N(=O)=O
SPLASH splash10-052f-4900450000-2f9c513b3abb46d2a945
Source of Spectrum AC-1982-94-0
Wiley ID 1400308