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2C-I HFBA Derivative
SpectraBase Compound ID 76PB8tqUOqS
InChI InChI=1S/C14H13F7INO3/c1-25-9-6-8(22)10(26-2)5-7(9)3-4-23-11(24)12(15,16)13(17,18)14(19,20)21/h5-6H,3-4H2,1-2H3,(H,23,24)
InChIKey CCGQQGXFWOPZRE-UHFFFAOYSA-N
Mol Weight 503.16 g/mol
Molecular Formula C14H13F7INO3
Exact Mass 502.982835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEnGLUUYZKu
Name 2C-I HFBA Derivative
Alternate Name(s) 2,2,3,3,4,4,4-heptafluoro-N-(4-iodo-2,5-dimethoxyphenethyl)butanamide
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Formula C14H13F7INO3
InChI InChI=1S/C14H13F7INO3/c1-25-9-6-8(22)10(26-2)5-7(9)3-4-23-11(24)12(15,16)13(17,18)14(19,20)21/h5-6H,3-4H2,1-2H3,(H,23,24)
InChIKey CCGQQGXFWOPZRE-UHFFFAOYSA-N
Molecular Weight 503.155 g/mol
SMILES N(CCc1c(cc(c(c1)OC)I)OC)C(C(C(C(F)(F)F)(F)F)(F)F)=O
SPLASH splash10-00mp-8960000000-3ec6b5875d23a87a7ad0
Source of Spectrum SWG-33-3429-0
Wiley ID 1810248