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4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl alcohol
SpectraBase Compound ID EOgK8ha6Hj
InChI InChI=1S/C9H7F3N2O/c10-9(11,12)8(13-14-8)7-3-1-6(5-15)2-4-7/h1-4,15H,5H2
InChIKey UZHHTEASLDJYBO-UHFFFAOYSA-N
Mol Weight 216.16 g/mol
Molecular Formula C9H7F3N2O
Exact Mass 216.051047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7uI2bm8d6fU
Name 4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl alcohol
Alternate Name(s) [4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methanol [4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]methanol [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C9H7F3N2O
InChI InChI=1S/C9H7F3N2O/c10-9(11,12)8(13-14-8)7-3-1-6(5-15)2-4-7/h1-4,15H,5H2
InChIKey UZHHTEASLDJYBO-UHFFFAOYSA-N
Molecular Weight 216.163 g/mol
SMILES OCc1ccc(C2(N=N2)C(F)(F)F)cc1
SPLASH splash10-000i-0900000000-d348f89fac1d6f2cf6af
Source of Spectrum C-117-3091-8
Wiley ID 758700