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3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
SpectraBase Compound ID LsIpV2zD4Jh
InChI InChI=1S/C7H4F7N3O2/c1-2-3(17(18)19)4(16-15-2)5(8,9)6(10,11)7(12,13)14/h1H3,(H,15,16)
InChIKey UOFISFKBSXJEHZ-UHFFFAOYSA-N
Mol Weight 295.12 g/mol
Molecular Formula C7H4F7N3O2
Exact Mass 295.019174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mRw2Fejgjp
Name 3-(1,1,2,2,3,3,3-heptafluoropropyl)-5-methyl-4-nitro-1H-pyrazole
Alternate Name(s) 3-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]-5-methyl-4-nitro-1H-pyrazole
CAS Registry Number 82633-69-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4F7N3O2
InChI InChI=1S/C7H4F7N3O2/c1-2-3(17(18)19)4(16-15-2)5(8,9)6(10,11)7(12,13)14/h1H3,(H,15,16)
InChIKey UOFISFKBSXJEHZ-UHFFFAOYSA-N
Molecular Weight 295.117 g/mol
SMILES [nH]1c(c(c(n1)C(C(C(F)(F)F)(F)F)(F)F)N(=O)=O)C
SPLASH splash10-004j-2490000000-a6284442d32ad277143f
Source of Spectrum AC-1982-94-0
Wiley ID 1297914