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3-Methyl-1-nitro-2-(4-trifluoromethoxyphenyl)butane
SpectraBase Compound ID BqJowSIXMTK
InChI InChI=1S/C12H14F3NO3/c1-8(2)11(7-16(17)18)9-3-5-10(6-4-9)19-12(13,14)15/h3-6,8,11H,7H2,1-2H3
InChIKey QAJSXQBUZYWPEB-UHFFFAOYSA-N
Mol Weight 277.24 g/mol
Molecular Formula C12H14F3NO3
Exact Mass 277.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dCjMtiQ8O
Name 3-Methyl-1-nitro-2-(4-trifluoromethoxyphenyl)butane
Alternate Name(s) 1-[2-methyl-1-(nitromethyl)propyl]-4-(trifluoromethoxy)benzene 4-[2-methyl-1-(nitromethyl)propyl]phenyl trifluoromethyl ether
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Formula C12H14F3NO3
InChI InChI=1S/C12H14F3NO3/c1-8(2)11(7-16(17)18)9-3-5-10(6-4-9)19-12(13,14)15/h3-6,8,11H,7H2,1-2H3
InChIKey QAJSXQBUZYWPEB-UHFFFAOYSA-N
Molecular Weight 277.243 g/mol
SMILES C(N(=O)=O)C(c1ccc(OC(F)(F)F)cc1)C(C)C
SPLASH splash10-0f6t-1900000000-e4416cfcc76d0733ca4b
Source of Spectrum F-54-807-5
Wiley ID 805323