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2C-B HFBA Derivative
SpectraBase Compound ID 41qQCC9K249
InChI InChI=1S/C14H13BrF7NO3/c1-25-9-6-8(15)10(26-2)5-7(9)3-4-23-11(24)12(16,17)13(18,19)14(20,21)22/h5-6H,3-4H2,1-2H3,(H,23,24)
InChIKey SBCHTSRUUAJWSM-UHFFFAOYSA-N
Mol Weight 456.15 g/mol
Molecular Formula C14H13BrF7NO3
Exact Mass 454.996703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPlWE7ZO970
Name 2C-B HFBA Derivative
Alternate Name(s) NEXUS HFBA Derivative 4-Bromo-2,5-dimethoxyphenethylamine HFBA Derivative N-(4-bromo-2,5-dimethoxyphenethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
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Formula C14H13BrF7NO3
InChI InChI=1S/C14H13BrF7NO3/c1-25-9-6-8(15)10(26-2)5-7(9)3-4-23-11(24)12(16,17)13(18,19)14(20,21)22/h5-6H,3-4H2,1-2H3,(H,23,24)
InChIKey SBCHTSRUUAJWSM-UHFFFAOYSA-N
Molecular Weight 456.155 g/mol
SMILES N(CCc1c(cc(Br)c(c1)OC)OC)C(C(C(C(F)(F)F)(F)F)(F)F)=O
SPLASH splash10-002f-6970200000-69390f9dd160ef200856
Source of Spectrum SWG-33-3103-0
Wiley ID 1810029